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testsuite@ 8c574b

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Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable

Last change on this file since 8c574b was 8c574b, checked in by Frederik Heber <heber@…>, 15 years ago

Split up testsuite into several at-scripts.

the testsuite has grown quite large due to the numerous new tests and is more readible now.

Property mode set to 100755

File size: 185.4 KB

Rev	Line
[8c574b]	1	#! /bin/sh
	2	# Generated from ../../../../molecuilder/tests/regression/testsuite.at by GNU Autoconf 2.65.
	3	#
	4	# Copyright (C) 2009 Free Software Foundation, Inc.
	5	#
	6	# This test suite is free software; the Free Software Foundation gives
	7	# unlimited permission to copy, distribute and modify it.
	8	## -------------------- ##
	9	## M4sh Initialization. ##
	10	## -------------------- ##
	11
	12	# Be more Bourne compatible
	13	DUALCASE=1; export DUALCASE # for MKS sh
	14	if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then :
	15	emulate sh
	16	NULLCMD=:
	17	# Pre-4.2 versions of Zsh do word splitting on ${1+"$@"}, which
	18	# is contrary to our usage. Disable this feature.
	19	alias -g '${1+"$@"}'='"$@"'
	20	setopt NO_GLOB_SUBST
	21	else
	22	case `(set -o) 2>/dev/null` in #(
	23	posix) :
	24	set -o posix ;; #(
	25	*) :
	26	;;
	27	esac
	28	fi
	29
	30
	31	as_nl='
	32	'
	33	export as_nl
	34	# Printing a long string crashes Solaris 7 /usr/bin/printf.
	35	as_echo='\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\'
	36	as_echo=$as_echo$as_echo$as_echo$as_echo$as_echo
	37	as_echo=$as_echo$as_echo$as_echo$as_echo$as_echo$as_echo
	38	# Prefer a ksh shell builtin over an external printf program on Solaris,
	39	# but without wasting forks for bash or zsh.
	40	if test -z "$BASH_VERSION$ZSH_VERSION" \
	41	&& (test "X`print -r -- $as_echo`" = "X$as_echo") 2>/dev/null; then
	42	as_echo='print -r --'
	43	as_echo_n='print -rn --'
	44	elif (test "X`printf %s $as_echo`" = "X$as_echo") 2>/dev/null; then
	45	as_echo='printf %s\n'
	46	as_echo_n='printf %s'
	47	else
	48	if test "X`(/usr/ucb/echo -n -n $as_echo) 2>/dev/null`" = "X-n $as_echo"; then
	49	as_echo_body='eval /usr/ucb/echo -n "$1$as_nl"'
	50	as_echo_n='/usr/ucb/echo -n'
	51	else
	52	as_echo_body='eval expr "X$1" : "X\$.*\$"'
	53	as_echo_n_body='eval
	54	arg=$1;
	55	case $arg in #(
	56	"$as_nl")
	57	expr "X$arg" : "X\$.*\$$as_nl";
	58	arg=`expr "X$arg" : ".$as_nl\$.\$"`;;
	59	esac;
	60	expr "X$arg" : "X\$.*\$" \| tr -d "$as_nl"
	61	'
	62	export as_echo_n_body
	63	as_echo_n='sh -c $as_echo_n_body as_echo'
	64	fi
	65	export as_echo_body
	66	as_echo='sh -c $as_echo_body as_echo'
	67	fi
	68
	69	# The user is always right.
	70	if test "${PATH_SEPARATOR+set}" != set; then
	71	PATH_SEPARATOR=:
	72	(PATH='/bin;/bin'; FPATH=$PATH; sh -c :) >/dev/null 2>&1 && {
	73	(PATH='/bin:/bin'; FPATH=$PATH; sh -c :) >/dev/null 2>&1 \|\|
	74	PATH_SEPARATOR=';'
	75	}
	76	fi
	77
	78
	79	# IFS
	80	# We need space, tab and new line, in precisely that order. Quoting is
	81	# there to prevent editors from complaining about space-tab.
	82	# (If _AS_PATH_WALK were called with IFS unset, it would disable word
	83	# splitting by setting IFS to empty value.)
	84	IFS=" "" $as_nl"
	85
	86	# Find who we are. Look in the path if we contain no directory separator.
	87	case $0 in #((
	88	[\\/] ) as_myself=$0 ;;
	89	*) as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
	90	for as_dir in $PATH
	91	do
	92	IFS=$as_save_IFS
	93	test -z "$as_dir" && as_dir=.
	94	test -r "$as_dir/$0" && as_myself=$as_dir/$0 && break
	95	done
	96	IFS=$as_save_IFS
	97
	98	;;
	99	esac
	100	# We did not find ourselves, most probably we were run as `sh COMMAND'
	101	# in which case we are not to be found in the path.
	102	if test "x$as_myself" = x; then
	103	as_myself=$0
	104	fi
	105	if test ! -f "$as_myself"; then
	106	$as_echo "$as_myself: error: cannot find myself; rerun with an absolute file name" >&2
	107	exit 1
	108	fi
	109
	110	# Unset variables that we do not need and which cause bugs (e.g. in
	111	# pre-3.0 UWIN ksh). But do not cause bugs in bash 2.01; the "\|\| exit 1"
	112	# suppresses any "Segmentation fault" message there. '((' could
	113	# trigger a bug in pdksh 5.2.14.
	114	for as_var in BASH_ENV ENV MAIL MAILPATH
	115	do eval test x\${$as_var+set} = xset \
	116	&& ( (unset $as_var) \|\| exit 1) >/dev/null 2>&1 && unset $as_var \|\| :
	117	done
	118	PS1='$ '
	119	PS2='> '
	120	PS4='+ '
	121
	122	# NLS nuisances.
	123	LC_ALL=C
	124	export LC_ALL
	125	LANGUAGE=C
	126	export LANGUAGE
	127
	128	# CDPATH.
	129	(unset CDPATH) >/dev/null 2>&1 && unset CDPATH
	130
	131	if test "x$CONFIG_SHELL" = x; then
	132	as_bourne_compatible="if test -n \"\${ZSH_VERSION+set}\" && (emulate sh) >/dev/null 2>&1; then :
	133	emulate sh
	134	NULLCMD=:
	135	# Pre-4.2 versions of Zsh do word splitting on \${1+\"\$@\"}, which
	136	# is contrary to our usage. Disable this feature.
	137	alias -g '\${1+\"\$@\"}'='\"\$@\"'
	138	setopt NO_GLOB_SUBST
	139	else
	140	case \`(set -o) 2>/dev/null\` in #(
	141	posix) :
	142	set -o posix ;; #(
	143	*) :
	144	;;
	145	esac
	146	fi
	147	"
	148	as_required="as_fn_return () { (exit \$1); }
	149	as_fn_success () { as_fn_return 0; }
	150	as_fn_failure () { as_fn_return 1; }
	151	as_fn_ret_success () { return 0; }
	152	as_fn_ret_failure () { return 1; }
	153
	154	exitcode=0
	155	as_fn_success \|\| { exitcode=1; echo as_fn_success failed.; }
	156	as_fn_failure && { exitcode=1; echo as_fn_failure succeeded.; }
	157	as_fn_ret_success \|\| { exitcode=1; echo as_fn_ret_success failed.; }
	158	as_fn_ret_failure && { exitcode=1; echo as_fn_ret_failure succeeded.; }
	159	if ( set x; as_fn_ret_success y && test x = \"\$1\" ); then :
	160
	161	else
	162	exitcode=1; echo positional parameters were not saved.
	163	fi
	164	test x\$exitcode = x0 \|\| exit 1"
	165	as_suggested=" as_lineno_1=";as_suggested=$as_suggested$LINENO;as_suggested=$as_suggested" as_lineno_1a=\$LINENO
	166	as_lineno_2=";as_suggested=$as_suggested$LINENO;as_suggested=$as_suggested" as_lineno_2a=\$LINENO
	167	eval 'test \"x\$as_lineno_1'\$as_run'\" != \"x\$as_lineno_2'\$as_run'\" &&
	168	test \"x\`expr \$as_lineno_1'\$as_run' + 1\`\" = \"x\$as_lineno_2'\$as_run'\"' \|\| exit 1
	169	test \$(( 1 + 1 )) = 2 \|\| exit 1"
	170	if (eval "$as_required") 2>/dev/null; then :
	171	as_have_required=yes
	172	else
	173	as_have_required=no
	174	fi
	175	if test x$as_have_required = xyes && (eval "$as_suggested") 2>/dev/null; then :
	176
	177	else
	178	as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
	179	as_found=false
	180	for as_dir in /bin$PATH_SEPARATOR/usr/bin$PATH_SEPARATOR$PATH
	181	do
	182	IFS=$as_save_IFS
	183	test -z "$as_dir" && as_dir=.
	184	as_found=:
	185	case $as_dir in #(
	186	/*)
	187	for as_base in sh bash ksh sh5; do
	188	# Try only shells that exist, to save several forks.
	189	as_shell=$as_dir/$as_base
	190	if { test -f "$as_shell" \|\| test -f "$as_shell.exe"; } &&
	191	{ $as_echo "$as_bourne_compatible""$as_required" \| as_run=a "$as_shell"; } 2>/dev/null; then :
	192	CONFIG_SHELL=$as_shell as_have_required=yes
	193	if { $as_echo "$as_bourne_compatible""$as_suggested" \| as_run=a "$as_shell"; } 2>/dev/null; then :
	194	break 2
	195	fi
	196	fi
	197	done;;
	198	esac
	199	as_found=false
	200	done
	201	$as_found \|\| { if { test -f "$SHELL" \|\| test -f "$SHELL.exe"; } &&
	202	{ $as_echo "$as_bourne_compatible""$as_required" \| as_run=a "$SHELL"; } 2>/dev/null; then :
	203	CONFIG_SHELL=$SHELL as_have_required=yes
	204	fi; }
	205	IFS=$as_save_IFS
	206
	207
	208	if test "x$CONFIG_SHELL" != x; then :
	209	# We cannot yet assume a decent shell, so we have to provide a
	210	# neutralization value for shells without unset; and this also
	211	# works around shells that cannot unset nonexistent variables.
	212	BASH_ENV=/dev/null
	213	ENV=/dev/null
	214	(unset BASH_ENV) >/dev/null 2>&1 && unset BASH_ENV ENV
	215	export CONFIG_SHELL
	216	exec "$CONFIG_SHELL" "$as_myself" ${1+"$@"}
	217	fi
	218
	219	if test x$as_have_required = xno; then :
	220	$as_echo "$0: This script requires a shell more modern than all"
	221	$as_echo "$0: the shells that I found on your system."
	222	if test x${ZSH_VERSION+set} = xset ; then
	223	$as_echo "$0: In particular, zsh $ZSH_VERSION has bugs and should"
	224	$as_echo "$0: be upgraded to zsh 4.3.4 or later."
	225	else
	226	$as_echo "$0: Please tell bug-autoconf@gnu.org about your system,
	227	$0: including any error possibly output before this
	228	$0: message. Then install a modern shell, or manually run
	229	$0: the script under such a shell if you do have one."
	230	fi
	231	exit 1
	232	fi
	233	fi
	234	fi
	235	SHELL=${CONFIG_SHELL-/bin/sh}
	236	export SHELL
	237	# Unset more variables known to interfere with behavior of common tools.
	238	CLICOLOR_FORCE= GREP_OPTIONS=
	239	unset CLICOLOR_FORCE GREP_OPTIONS
	240
	241	## --------------------- ##
	242	## M4sh Shell Functions. ##
	243	## --------------------- ##
	244	# as_fn_unset VAR
	245	# ---------------
	246	# Portably unset VAR.
	247	as_fn_unset ()
	248	{
	249	{ eval $1=; unset $1;}
	250	}
	251	as_unset=as_fn_unset
	252
	253	# as_fn_set_status STATUS
	254	# -----------------------
	255	# Set $? to STATUS, without forking.
	256	as_fn_set_status ()
	257	{
	258	return $1
	259	} # as_fn_set_status
	260
	261	# as_fn_exit STATUS
	262	# -----------------
	263	# Exit the shell with STATUS, even in a "trap 0" or "set -e" context.
	264	as_fn_exit ()
	265	{
	266	set +e
	267	as_fn_set_status $1
	268	exit $1
	269	} # as_fn_exit
	270
	271	# as_fn_mkdir_p
	272	# -------------
	273	# Create "$as_dir" as a directory, including parents if necessary.
	274	as_fn_mkdir_p ()
	275	{
	276
	277	case $as_dir in #(
	278	-*) as_dir=./$as_dir;;
	279	esac
	280	test -d "$as_dir" \|\| eval $as_mkdir_p \|\| {
	281	as_dirs=
	282	while :; do
	283	case $as_dir in #(
	284	\') as_qdir=`$as_echo "$as_dir" \| sed "s/'/'\\\\\\\\''/g"`;; #'(
	285	*) as_qdir=$as_dir;;
	286	esac
	287	as_dirs="'$as_qdir' $as_dirs"
	288	as_dir=`$as_dirname -- "$as_dir" \|\|
	289	$as_expr X"$as_dir" : 'X$.[^/]$//[^/][^/]/$' \\| \
	290	X"$as_dir" : 'X$//$[^/]' \\| \
	291	X"$as_dir" : 'X$//$$' \\| \
	292	X"$as_dir" : 'X$/$' \\| . 2>/dev/null \|\|
	293	$as_echo X"$as_dir" \|
	294	sed '/^X$.[^/]$\/\/[^/][^/]\/$/{
	295	s//\1/
	296	q
	297	}
	298	/^X$\/\/$[^/].*/{
	299	s//\1/
	300	q
	301	}
	302	/^X$\/\/$$/{
	303	s//\1/
	304	q
	305	}
	306	/^X$\/$.*/{
	307	s//\1/
	308	q
	309	}
	310	s/.*/./; q'`
	311	test -d "$as_dir" && break
	312	done
	313	test -z "$as_dirs" \|\| eval "mkdir $as_dirs"
	314	} \|\| test -d "$as_dir" \|\| as_fn_error "cannot create directory $as_dir"
	315
	316
	317	} # as_fn_mkdir_p
	318	# as_fn_append VAR VALUE
	319	# ----------------------
	320	# Append the text in VALUE to the end of the definition contained in VAR. Take
	321	# advantage of any shell optimizations that allow amortized linear growth over
	322	# repeated appends, instead of the typical quadratic growth present in naive
	323	# implementations.
	324	if (eval "as_var=1; as_var+=2; test x\$as_var = x12") 2>/dev/null; then :
	325	eval 'as_fn_append ()
	326	{
	327	eval $1+=\$2
	328	}'
	329	else
	330	as_fn_append ()
	331	{
	332	eval $1=\$$1\$2
	333	}
	334	fi # as_fn_append
	335
	336	# as_fn_arith ARG...
	337	# ------------------
	338	# Perform arithmetic evaluation on the ARGs, and store the result in the
	339	# global $as_val. Take advantage of shells that can avoid forks. The arguments
	340	# must be portable across $(()) and expr.
	341	if (eval "test \$(( 1 + 1 )) = 2") 2>/dev/null; then :
	342	eval 'as_fn_arith ()
	343	{
	344	as_val=$(( $* ))
	345	}'
	346	else
	347	as_fn_arith ()
	348	{
	349	as_val=`expr "$@" \|\| test $? -eq 1`
	350	}
	351	fi # as_fn_arith
	352
	353
	354	# as_fn_error ERROR [LINENO LOG_FD]
	355	# ---------------------------------
	356	# Output "`basename $0`: error: ERROR" to stderr. If LINENO and LOG_FD are
	357	# provided, also output the error to LOG_FD, referencing LINENO. Then exit the
	358	# script with status $?, using 1 if that was 0.
	359	as_fn_error ()
	360	{
	361	as_status=$?; test $as_status -eq 0 && as_status=1
	362	if test "$3"; then
	363	as_lineno=${as_lineno-"$2"} as_lineno_stack=as_lineno_stack=$as_lineno_stack
	364	$as_echo "$as_me:${as_lineno-$LINENO}: error: $1" >&$3
	365	fi
	366	$as_echo "$as_me: error: $1" >&2
	367	as_fn_exit $as_status
	368	} # as_fn_error
	369
	370	if expr a : '$a$' >/dev/null 2>&1 &&
	371	test "X`expr 00001 : '.*$...$'`" = X001; then
	372	as_expr=expr
	373	else
	374	as_expr=false
	375	fi
	376
	377	if (basename -- /) >/dev/null 2>&1 && test "X`basename -- / 2>&1`" = "X/"; then
	378	as_basename=basename
	379	else
	380	as_basename=false
	381	fi
	382
	383	as_me=`$as_basename -- "$0" \|\|
	384	$as_expr X/"$0" : './$[^/][^/]$/*$' \\| \
	385	X"$0" : 'X$//$$' \\| \
	386	X"$0" : 'X$/$' \\| . 2>/dev/null \|\|
	387	$as_echo X/"$0" \|
	388	sed '/^.\/$[^/][^/]$\/*$/{
	389	s//\1/
	390	q
	391	}
	392	/^X\/$\/\/$$/{
	393	s//\1/
	394	q
	395	}
	396	/^X\/$\/$.*/{
	397	s//\1/
	398	q
	399	}
	400	s/.*/./; q'`
	401
	402	if (as_dir=`dirname -- /` && test "X$as_dir" = X/) >/dev/null 2>&1; then
	403	as_dirname=dirname
	404	else
	405	as_dirname=false
	406	fi
	407
	408	# Avoid depending upon Character Ranges.
	409	as_cr_letters='abcdefghijklmnopqrstuvwxyz'
	410	as_cr_LETTERS='ABCDEFGHIJKLMNOPQRSTUVWXYZ'
	411	as_cr_Letters=$as_cr_letters$as_cr_LETTERS
	412	as_cr_digits='0123456789'
	413	as_cr_alnum=$as_cr_Letters$as_cr_digits
	414
	415
	416	as_lineno_1=$LINENO as_lineno_1a=$LINENO
	417	as_lineno_2=$LINENO as_lineno_2a=$LINENO
	418	eval 'test "x$as_lineno_1'$as_run'" != "x$as_lineno_2'$as_run'" &&
	419	test "x`expr $as_lineno_1'$as_run' + 1`" = "x$as_lineno_2'$as_run'"' \|\| {
	420	# Blame Lee E. McMahon (1931-1989) for sed's syntax. :-)
	421	sed -n '
	422	p
	423	/[$]LINENO/=
	424	' <$as_myself \|
	425	sed '
	426	s/[$]LINENO.*/&-/
	427	t lineno
	428	b
	429	:lineno
	430	N
	431	:loop
	432	s/[$]LINENO$[^'$as_cr_alnum'_].\n$$.$/\2\1\2/
	433	t loop
	434	s/-\n.*//
	435	' >$as_me.lineno &&
	436	chmod +x "$as_me.lineno" \|\|
	437	{ $as_echo "$as_me: error: cannot create $as_me.lineno; rerun with a POSIX shell" >&2; as_fn_exit 1; }
	438
	439	# Don't try to exec as it changes $[0], causing all sort of problems
	440	# (the dirname of $[0] is not the place where we might find the
	441	# original and so on. Autoconf is especially sensitive to this).
	442	. "./$as_me.lineno"
	443	# Exit status is that of the last command.
	444	exit
	445	}
	446
	447	ECHO_C= ECHO_N= ECHO_T=
	448	case `echo -n x` in #(((((
	449	-n*)
	450	case `echo 'xy\c'` in
	451	c) ECHO_T=' ';; # ECHO_T is single tab character.
	452	xy) ECHO_C='\c';;
	453	*) echo `echo ksh88 bug on AIX 6.1` > /dev/null
	454	ECHO_T=' ';;
	455	esac;;
	456	*)
	457	ECHO_N='-n';;
	458	esac
	459
	460	rm -f conf$$ conf$$.exe conf$$.file
	461	if test -d conf$$.dir; then
	462	rm -f conf$$.dir/conf$$.file
	463	else
	464	rm -f conf$$.dir
	465	mkdir conf$$.dir 2>/dev/null
	466	fi
	467	if (echo >conf$$.file) 2>/dev/null; then
	468	if ln -s conf$$.file conf$$ 2>/dev/null; then
	469	as_ln_s='ln -s'
	470	# ... but there are two gotchas:
	471	# 1) On MSYS, both `ln -s file dir' and `ln file dir' fail.
	472	# 2) DJGPP < 2.04 has no symlinks; `ln -s' creates a wrapper executable.
	473	# In both cases, we have to default to `cp -p'.
	474	ln -s conf$$.file conf$$.dir 2>/dev/null && test ! -f conf$$.exe \|\|
	475	as_ln_s='cp -p'
	476	elif ln conf$$.file conf$$ 2>/dev/null; then
	477	as_ln_s=ln
	478	else
	479	as_ln_s='cp -p'
	480	fi
	481	else
	482	as_ln_s='cp -p'
	483	fi
	484	rm -f conf$$ conf$$.exe conf$$.dir/conf$$.file conf$$.file
	485	rmdir conf$$.dir 2>/dev/null
	486
	487	if mkdir -p . 2>/dev/null; then
	488	as_mkdir_p='mkdir -p "$as_dir"'
	489	else
	490	test -d ./-p && rmdir ./-p
	491	as_mkdir_p=false
	492	fi
	493
	494	if test -x / >/dev/null 2>&1; then
	495	as_test_x='test -x'
	496	else
	497	if ls -dL / >/dev/null 2>&1; then
	498	as_ls_L_option=L
	499	else
	500	as_ls_L_option=
	501	fi
	502	as_test_x='
	503	eval sh -c '\''
	504	if test -d "$1"; then
	505	test -d "$1/.";
	506	else
	507	case $1 in #(
	508	-*)set "./$1";;
	509	esac;
	510	case `ls -ld'$as_ls_L_option' "$1" 2>/dev/null` in #((
	511	???[sx]):;;)false;;esac;fi
	512	'\'' sh
	513	'
	514	fi
	515	as_executable_p=$as_test_x
	516
	517	# Sed expression to map a string onto a valid CPP name.
	518	as_tr_cpp="eval sed 'y%*$as_cr_letters%P$as_cr_LETTERS%;s%[^_$as_cr_alnum]%_%g'"
	519
	520	# Sed expression to map a string onto a valid variable name.
	521	as_tr_sh="eval sed 'y%*+%pp%;s%[^_$as_cr_alnum]%_%g'"
	522
	523
	524
	525
	526
	527	SHELL=${CONFIG_SHELL-/bin/sh}
	528
	529	# How were we run?
	530	at_cli_args="$@"
	531
	532
	533	# Not all shells have the 'times' builtin; the subshell is needed to make
	534	# sure we discard the 'times: not found' message from the shell.
	535	at_times_p=false
	536	(times) >/dev/null 2>&1 && at_times_p=:
	537
	538	# CLI Arguments to pass to the debugging scripts.
	539	at_debug_args=
	540	# -e sets to true
	541	at_errexit_p=false
	542	# Shall we be verbose? ':' means no, empty means yes.
	543	at_verbose=:
	544	at_quiet=
	545	# Running several jobs in parallel, 0 means as many as test groups.
	546	at_jobs=1
	547	at_traceon=:
	548	at_trace_echo=:
	549	at_check_filter_trace=:
	550
	551	# Shall we keep the debug scripts? Must be `:' when the suite is
	552	# run by a debug script, so that the script doesn't remove itself.
	553	at_debug_p=false
	554	# Display help message?
	555	at_help_p=false
	556	# Display the version message?
	557	at_version_p=false
	558	# List test groups?
	559	at_list_p=false
	560	# --clean
	561	at_clean=false
	562	# Test groups to run
	563	at_groups=
	564	# Whether a write failure occurred
	565	at_write_fail=0
	566
	567	# The directory we run the suite in. Default to . if no -C option.
	568	at_dir=`pwd`
	569	# An absolute reference to this testsuite script.
	570	case $as_myself in
	571	[\\/]* \| ?:[\\/]* ) at_myself=$as_myself ;;
	572	* ) at_myself=$at_dir/$as_myself ;;
	573	esac
	574	# Whether -C is in effect.
	575	at_change_dir=false
	576
	577	# List of the tested programs.
	578	at_tested='diff
	579	fgrep
	580	grep'
	581	# List of the all the test groups.
	582	at_groups_all=' 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45'
	583	# As many question marks as there are digits in the last test group number.
	584	# Used to normalize the test group numbers so that `ls' lists them in
	585	# numerical order.
	586	at_format='??'
	587	# Description of all the test groups.
	588	at_help_all="1;testsuite-standard_options.at:3;Standard Options - verbosity;options;
	589	2;testsuite-standard_options.at:11;Standard Options - help screen;options;
	590	3;testsuite-standard_options.at:18;Standard Options - no element database;options;
	591	4;testsuite-standard_options.at:25;Standard Options - element database;options;
	592	5;testsuite-standard_options.at:39;Standard Options - bond length table;options;
	593	6;testsuite-standard_options.at:51;Standard Options - fast trajectories;options;
	594	7;testsuite-standard_options.at:58;Standard Options - molecule default name;options;
	595	8;testsuite-specifics.at:3;Specifics - MPQC basis;options;
	596	9;testsuite-simple_configuration.at:3;Simple configuration - xyz file generation;configuration;
	597	10;testsuite-simple_configuration.at:13;Simple configuration - parsing xyz file;configuration;
	598	11;testsuite-simple_configuration.at:25;Simple configuration - adding atom;configuration;
	599	12;testsuite-simple_configuration.at:34;Simple configuration - Changing element;configuration;
	600	13;testsuite-simple_configuration.at:42;Simple configuration - Atom removal;configuration;
	601	14;testsuite-simple_configuration.at:52;Simple configuration - invalid commands on empty configs;configuration;
	602	15;testsuite-simple_configuration.at:60;Simple configuration - invalid commands on present configs;configuration;
	603	16;testsuite-simple_configuration.at:86;Simple configuration - BROKEN: Removing sphere of atoms;configuration;
	604	17;testsuite-domain.at:3;Domain - defining simulation domain;domain;
	605	18;testsuite-domain.at:11;Domain - setting and centering in domain;domain;
	606	19;testsuite-domain.at:19;Domain - centering with defined boundary;domain;
	607	20;testsuite-domain.at:27;Domain - centering and setting domain;domain;
	608	21;testsuite-domain.at:35;Domain - scaling box;domain;
	609	22;testsuite-domain.at:43;Domain - duplicating box;domain;
	610	23;testsuite-graph.at:3;Graph - DFS analysis;graph;
	611	24;testsuite-graph.at:11;Graph - subgraph dissection;graph;
	612	25;testsuite-molecules.at:3;Molecules - Bonds from file;molecules;
	613	26;testsuite-molecules.at:11;Molecules - Storing bond info;molecules;
	614	27;testsuite-molecules.at:21;Molecules - Storing temperature;molecules;
	615	28;testsuite-molecules.at:29;Molecules - BROKEN: Linear interpolation;molecules;
	616	29;testsuite-molecules.at:36;Molecules - BROKEN: Verlet force integration;molecules;
	617	30;testsuite-molecules.at:44;Molecules - Translation;molecules;
	618	31;testsuite-molecules.at:52;Molecules - Periodic translation;molecules;
	619	32;testsuite-molecules.at:60;Molecules - BROKEN: Rotate to PAS;molecules;
	620	33;testsuite-fragmentation.at:3;Fragmentation - Checking present config;fragmentation;
	621	34;testsuite-fragmentation.at:12;Fragmentation - Fragmentation;;
	622	35;testsuite-fragmentation.at:21;Fragmentation - Fragmentation is at MaxOrder;;
	623	36;testsuite-tesselation.at:3;Tesselation - Non-Convex Envelope;tesselation;
	624	37;testsuite-tesselation.at:12;Tesselation - Convex Envelope;;
	625	38;testsuite-tesselation.at:22;Tesselation - Big non-Convex Envelope;;
	626	39;testsuite-filling.at:3;Filling - filling empty box;filling;
	627	40;testsuite-filling.at:17;Filling - BROKEN: suspend in water;filling;
	628	41;testsuite-analysis.at:3;Analysis - pair correlation;analysis;
	629	42;testsuite-analysis.at:13;Analysis - pair correlation range test;analysis;
	630	43;testsuite-analysis.at:28;Analysis - point correlation;analysis;
	631	44;testsuite-analysis.at:38;Analysis - surface correlation;analysis;
	632	45;testsuite-analysis.at:48;Analysis - principal axis system;analysis;
	633	"
	634
	635	# at_fn_validate_ranges NAME...
	636	# -----------------------------
	637	# Validate and normalize the test group number contained in each variable
	638	# NAME. Leading zeroes are treated as decimal.
	639	at_fn_validate_ranges ()
	640	{
	641	for at_grp
	642	do
	643	eval at_value=\$$at_grp
	644	if test $at_value -lt 1 \|\| test $at_value -gt 45; then
	645	$as_echo "invalid test group: $at_value" >&2
	646	exit 1
	647	fi
	648	case $at_value in
	649	0*) # We want to treat leading 0 as decimal, like expr and test, but
	650	# AS_VAR_ARITH treats it as octal if it uses $(( )).
	651	# With XSI shells, ${at_value#${at_value%%[1-9]*}} avoids the
	652	# expr fork, but it is not worth the effort to determine if the
	653	# shell supports XSI when the user can just avoid leading 0.
	654	eval $at_grp='`expr $at_value + 0`' ;;
	655	esac
	656	done
	657	}
	658
	659	at_prev=
	660	for at_option
	661	do
	662	# If the previous option needs an argument, assign it.
	663	if test -n "$at_prev"; then
	664	at_option=$at_prev=$at_option
	665	at_prev=
	666	fi
	667
	668	case $at_option in
	669	=) at_optarg=`expr "x$at_option" : 'x[^=]=$.$'` ;;
	670	*) at_optarg= ;;
	671	esac
	672
	673	# Accept the important Cygnus configure options, so we can diagnose typos.
	674
	675	case $at_option in
	676	--help \| -h )
	677	at_help_p=:
	678	;;
	679
	680	--list \| -l )
	681	at_list_p=:
	682	;;
	683
	684	--version \| -V )
	685	at_version_p=:
	686	;;
	687
	688	--clean \| -c )
	689	at_clean=:
	690	;;
	691
	692	--debug \| -d )
	693	at_debug_p=:
	694	;;
	695
	696	--errexit \| -e )
	697	at_debug_p=:
	698	at_errexit_p=:
	699	;;
	700
	701	--verbose \| -v )
	702	at_verbose=; at_quiet=:
	703	;;
	704
	705	--trace \| -x )
	706	at_traceon='set -x'
	707	at_trace_echo=echo
	708	at_check_filter_trace=at_fn_filter_trace
	709	;;
	710
	711	[0-9] \| [0-9][0-9] \| [0-9][0-9][0-9] \| [0-9][0-9][0-9][0-9])
	712	at_fn_validate_ranges at_option
	713	as_fn_append at_groups "$at_option "
	714	;;
	715
	716	# Ranges
	717	[0-9]- \| [0-9][0-9]- \| [0-9][0-9][0-9]- \| [0-9][0-9][0-9][0-9]-)
	718	at_range_start=`echo $at_option \|tr -d X-`
	719	at_fn_validate_ranges at_range_start
	720	at_range=`$as_echo " $at_groups_all " \| \
	721	sed -e 's/^.* $'$at_range_start' $/\1/'`
	722	as_fn_append at_groups "$at_range "
	723	;;
	724
	725	-[0-9] \| -[0-9][0-9] \| -[0-9][0-9][0-9] \| -[0-9][0-9][0-9][0-9])
	726	at_range_end=`echo $at_option \|tr -d X-`
	727	at_fn_validate_ranges at_range_end
	728	at_range=`$as_echo " $at_groups_all " \| \
	729	sed -e 's/$ '$at_range_end'$ .*$/\1/'`
	730	as_fn_append at_groups "$at_range "
	731	;;
	732
	733	[0-9]-[0-9] \| [0-9]-[0-9][0-9] \| [0-9]-[0-9][0-9][0-9] \| \
	734	[0-9]-[0-9][0-9][0-9][0-9] \| [0-9][0-9]-[0-9][0-9] \| \
	735	[0-9][0-9]-[0-9][0-9][0-9] \| [0-9][0-9]-[0-9][0-9][0-9][0-9] \| \
	736	[0-9][0-9][0-9]-[0-9][0-9][0-9] \| \
	737	[0-9][0-9][0-9]-[0-9][0-9][0-9][0-9] \| \
	738	[0-9][0-9][0-9][0-9]-[0-9][0-9][0-9][0-9] )
	739	at_range_start=`expr $at_option : '$.*$-'`
	740	at_range_end=`expr $at_option : '.-$.$'`
	741	if test $at_range_start -gt $at_range_end; then
	742	at_tmp=$at_range_end
	743	at_range_end=$at_range_start
	744	at_range_start=$at_tmp
	745	fi
	746	at_fn_validate_ranges at_range_start at_range_end
	747	at_range=`$as_echo " $at_groups_all " \| \
	748	sed -e 's/^.*$ '$at_range_start' $/\1/' \
	749	-e 's/$ '$at_range_end'$ .*$/\1/'`
	750	as_fn_append at_groups "$at_range "
	751	;;
	752
	753	# Directory selection.
	754	--directory \| -C )
	755	at_prev=--directory
	756	;;
	757	--directory=* )
	758	at_change_dir=:
	759	at_dir=$at_optarg
	760	;;
	761
	762	# Parallel execution.
	763	--jobs \| -j )
	764	at_jobs=0
	765	;;
	766	--jobs=* \| -j[0-9]* )
	767	if test -n "$at_optarg"; then
	768	at_jobs=$at_optarg
	769	else
	770	at_jobs=`expr X$at_option : 'X-j$.*$'`
	771	fi
	772	case $at_jobs in [!0-9])
	773	at_optname=`echo " $at_option" \| sed 's/^ //; s/[0-9=].*//'`
	774	as_fn_error "non-numeric argument to $at_optname: $at_jobs" ;;
	775	esac
	776	;;
	777
	778	# Keywords.
	779	--keywords \| -k )
	780	at_prev=--keywords
	781	;;
	782	--keywords=* )
	783	at_groups_selected=$at_help_all
	784	at_save_IFS=$IFS
	785	IFS=,
	786	set X $at_optarg
	787	shift
	788	IFS=$at_save_IFS
	789	for at_keyword
	790	do
	791	at_invert=
	792	case $at_keyword in
	793	'!'*)
	794	at_invert="-v"
	795	at_keyword=`expr "X$at_keyword" : 'X!$.*$'`
	796	;;
	797	esac
	798	# It is on purpose that we match the test group titles too.
	799	at_groups_selected=`$as_echo "$at_groups_selected" \|
	800	grep -i $at_invert "^[1-9][^;];.[; ]$at_keyword[ ;]"`
	801	done
	802	# Smash the newlines.
	803	at_groups_selected=`$as_echo "$at_groups_selected" \| sed 's/;.*//' \|
	804	tr "$as_nl" ' '
	805	`
	806	as_fn_append at_groups "$at_groups_selected "
	807	;;
	808
	809	=)
	810	at_envvar=`expr "x$at_option" : 'x$[^=]*$='`
	811	# Reject names that are not valid shell variable names.
	812	case $at_envvar in
	813	'' \| [0-9]* \| [!_$as_cr_alnum] )
	814	as_fn_error "invalid variable name: \`$at_envvar'" ;;
	815	esac
	816	at_value=`$as_echo "$at_optarg" \| sed "s/'/'\\\\\\\\''/g"`
	817	# Export now, but save eval for later and for debug scripts.
	818	export $at_envvar
	819	as_fn_append at_debug_args " $at_envvar='$at_value'"
	820	;;
	821
	822	*) $as_echo "$as_me: invalid option: $at_option" >&2
	823	$as_echo "Try \`$0 --help' for more information." >&2
	824	exit 1
	825	;;
	826	esac
	827	done
	828
	829	# Verify our last option didn't require an argument
	830	if test -n "$at_prev"; then :
	831	as_fn_error "\`$at_prev' requires an argument."
	832	fi
	833
	834	# Selected test groups.
	835	if test -z "$at_groups"; then
	836	at_groups=$at_groups_all
	837	else
	838	# Sort the tests, removing duplicates.
	839	at_groups=`$as_echo "$at_groups" \| tr ' ' "$as_nl" \| sort -nu`
	840	fi
	841
	842	# Help message.
	843	if $at_help_p; then
	844	cat <<_ATEOF \|\| at_write_fail=1
	845	Usage: $0 [OPTION]... [VARIABLE=VALUE]... [TESTS]
	846
	847	Run all the tests, or the selected TESTS, given by numeric ranges, and
	848	save a detailed log file. Upon failure, create debugging scripts.
	849
	850	Do not change environment variables directly. Instead, set them via
	851	command line arguments. Set \`AUTOTEST_PATH' to select the executables
	852	to exercise. Each relative directory is expanded as build and source
	853	directories relative to the top level of this distribution.
	854	E.g., from within the build directory /tmp/foo-1.0, invoking this:
	855
	856	$ $0 AUTOTEST_PATH=bin
	857
	858	is equivalent to the following, assuming the source directory is /src/foo-1.0:
	859
	860	PATH=/tmp/foo-1.0/bin:/src/foo-1.0/bin:\$PATH $0
	861	_ATEOF
	862	cat <<_ATEOF \|\| at_write_fail=1
	863
	864	Operation modes:
	865	-h, --help print the help message, then exit
	866	-V, --version print version number, then exit
	867	-c, --clean remove all the files this test suite might create and exit
	868	-l, --list describes all the tests, or the selected TESTS
	869	_ATEOF
	870	cat <<_ATEOF \|\| at_write_fail=1
	871
	872	Execution tuning:
	873	-C, --directory=DIR
	874	change to directory DIR before starting
	875	-j, --jobs[=N]
	876	Allow N jobs at once; infinite jobs with no arg (default 1)
	877	-k, --keywords=KEYWORDS
	878	select the tests matching all the comma-separated KEYWORDS
	879	multiple \`-k' accumulate; prefixed \`!' negates a KEYWORD
	880	-e, --errexit abort as soon as a test fails; implies --debug
	881	-v, --verbose force more detailed output
	882	default for debugging scripts
	883	-d, --debug inhibit clean up and top-level logging
	884	default for debugging scripts
	885	-x, --trace enable tests shell tracing
	886	_ATEOF
	887	cat <<_ATEOF \|\| at_write_fail=1
	888
	889	Report bugs to <heber@ins.uni-bonn.de>.
	890	_ATEOF
	891	exit $at_write_fail
	892	fi
	893
	894	# List of tests.
	895	if $at_list_p; then
	896	cat <<_ATEOF \|\| at_write_fail=1
	897	Molecuilder 1.0 test suite: Molecular Builder test groups:
	898
	899	NUM: FILE-NAME:LINE TEST-GROUP-NAME
	900	KEYWORDS
	901
	902	_ATEOF
	903	# Passing at_groups is tricky. We cannot use it to form a literal string
	904	# or regexp because of the limitation of AIX awk. And Solaris' awk
	905	# doesn't grok more than 99 fields in a record, so we have to use `split'.
	906	# at_groups needs to be space-separated for this script to work.
	907	case $at_groups in
	908	"$as_nl" )
	909	at_groups=`$as_echo "$at_groups" \| tr "$as_nl" ' '` ;;
	910	esac
	911	$as_echo "$at_groups$as_nl$at_help_all" \|
	912	awk 'BEGIN { FS = ";" }
	913	NR == 1 {
	914	for (n = split ($ 0, a, " "); n; n--)
	915	selected[a[n]] = 1
	916	next
	917	}
	918	NF > 0 {
	919	if (selected[$ 1]) {
	920	printf " %3d: %-18s %s\n", $ 1, $ 2, $ 3
	921	if ($ 4) {
	922	lmax = 79
	923	indent = " "
	924	line = indent
	925	len = length (line)
	926	n = split ($ 4, a, " ")
	927	for (i = 1; i <= n; i++) {
	928	l = length (a[i]) + 1
	929	if (i > 1 && len + l > lmax) {
	930	print line
	931	line = indent " " a[i]
	932	len = length (line)
	933	} else {
	934	line = line " " a[i]
	935	len += l
	936	}
	937	}
	938	if (n)
	939	print line
	940	}
	941	}
	942	}' \|\| at_write_fail=1
	943	exit $at_write_fail
	944	fi
	945	if $at_version_p; then
	946	$as_echo "$as_me (Molecuilder 1.0)" &&
	947	cat <<\_ATEOF \|\| at_write_fail=1
	948
	949	Copyright (C) 2009 Free Software Foundation, Inc.
	950	This test suite is free software; the Free Software Foundation gives
	951	unlimited permission to copy, distribute and modify it.
	952	_ATEOF
	953	exit $at_write_fail
	954	fi
	955
	956	# Should we print banners? at_groups is space-separated for entire test,
	957	# newline-separated if only a subset of the testsuite is run.
	958	case $at_groups in
	959	' '' '* \| "$as_nl""$as_nl"* )
	960	at_print_banners=: ;;
	961	* ) at_print_banners=false ;;
	962	esac
	963	# Text for banner N, set to empty once printed.
	964	# Banner 1. testsuite-standard_options.at:1
	965	# Category starts at test group 1.
	966	at_banner_text_1="MoleCuilder - standard options"
	967	# Banner 2. testsuite-specifics.at:1
	968	# Category starts at test group 8.
	969	at_banner_text_2="MoleCuilder - Specifics"
	970	# Banner 3. testsuite-simple_configuration.at:1
	971	# Category starts at test group 9.
	972	at_banner_text_3="MoleCuilder - molecular config creation from xyz file and atom adding"
	973	# Banner 4. testsuite-domain.at:1
	974	# Category starts at test group 17.
	975	at_banner_text_4="MoleCuilder - simulation domain"
	976	# Banner 5. testsuite-graph.at:1
	977	# Category starts at test group 23.
	978	at_banner_text_5="MoleCuilder - Graph routines test"
	979	# Banner 6. testsuite-molecules.at:1
	980	# Category starts at test group 25.
	981	at_banner_text_6="MoleCuilder - Molecules"
	982	# Banner 7. testsuite-fragmentation.at:1
	983	# Category starts at test group 33.
	984	at_banner_text_7="MoleCuilder - Fragmentation and Re-fragmentation test"
	985	# Banner 8. testsuite-tesselation.at:1
	986	# Category starts at test group 36.
	987	at_banner_text_8="MoleCuilder - Tesselation test"
	988	# Banner 9. testsuite-filling.at:1
	989	# Category starts at test group 39.
	990	at_banner_text_9="MoleCuilder - Filling in molecules"
	991	# Banner 10. testsuite-analysis.at:1
	992	# Category starts at test group 41.
	993	at_banner_text_10="MoleCuilder - Analysis"
	994
	995	# Take any -C into account.
	996	if $at_change_dir ; then
	997	if test x- = "x$at_dir" ; then
	998	at_dir=./-
	999	fi
	1000	test x != "x$at_dir" && cd "$at_dir" \
	1001	\|\| as_fn_error "unable to change directory"
	1002	at_dir=`pwd`
	1003	fi
	1004
	1005	# Load the config files for any default variable assignments.
	1006	for at_file in atconfig atlocal
	1007	do
	1008	test -r $at_file \|\| continue
	1009	. ./$at_file \|\| as_fn_error "invalid content: $at_file"
	1010	done
	1011
	1012	# Autoconf <=2.59b set at_top_builddir instead of at_top_build_prefix:
	1013	: ${at_top_build_prefix=$at_top_builddir}
	1014
	1015	# Perform any assignments requested during argument parsing.
	1016	eval "$at_debug_args"
	1017
	1018	# atconfig delivers names relative to the directory the test suite is
	1019	# in, but the groups themselves are run in testsuite-dir/group-dir.
	1020	if test -n "$at_top_srcdir"; then
	1021	builddir=../..
	1022	for at_dir_var in srcdir top_srcdir top_build_prefix
	1023	do
	1024	eval at_val=\$at_$at_dir_var
	1025	case $at_val in
	1026	[\\/$]* \| ?:[\\/]* ) at_prefix= ;;
	1027	*) at_prefix=../../ ;;
	1028	esac
	1029	eval "$at_dir_var=\$at_prefix\$at_val"
	1030	done
	1031	fi
	1032
	1033	## -------------------- ##
	1034	## Directory structure. ##
	1035	## -------------------- ##
	1036
	1037	# This is the set of directories and files used by this script
	1038	# (non-literals are capitalized):
	1039	#
	1040	# TESTSUITE - the testsuite
	1041	# TESTSUITE.log - summarizes the complete testsuite run
	1042	# TESTSUITE.dir/ - created during a run, remains after -d or failed test
	1043	# + at-groups/ - during a run: status of all groups in run
	1044	# \| + NNN/ - during a run: meta-data about test group NNN
	1045	# \| \| + check-line - location (source file and line) of current AT_CHECK
	1046	# \| \| + status - exit status of current AT_CHECK
	1047	# \| \| + stdout - stdout of current AT_CHECK
	1048	# \| \| + stder1 - stderr, including trace
	1049	# \| \| + stderr - stderr, with trace filtered out
	1050	# \| \| + test-source - portion of testsuite that defines group
	1051	# \| \| + times - timestamps for computing duration
	1052	# \| \| + pass - created if group passed
	1053	# \| \| + xpass - created if group xpassed
	1054	# \| \| + fail - created if group failed
	1055	# \| \| + xfail - created if group xfailed
	1056	# \| \| + skip - created if group skipped
	1057	# + at-stop - during a run: end the run if this file exists
	1058	# + at-source-lines - during a run: cache of TESTSUITE line numbers for extraction
	1059	# + 0..NNN/ - created for each group NNN, remains after -d or failed test
	1060	# \| + TESTSUITE.log - summarizes the group results
	1061	# \| + ... - files created during the group
	1062
	1063	# The directory the whole suite works in.
	1064	# Should be absolute to let the user `cd' at will.
	1065	at_suite_dir=$at_dir/$as_me.dir
	1066	# The file containing the suite.
	1067	at_suite_log=$at_dir/$as_me.log
	1068	# The directory containing helper files per test group.
	1069	at_helper_dir=$at_suite_dir/at-groups
	1070	# Stop file: if it exists, do not start new jobs.
	1071	at_stop_file=$at_suite_dir/at-stop
	1072	# The fifo used for the job dispatcher.
	1073	at_job_fifo=$at_suite_dir/at-job-fifo
	1074
	1075	if $at_clean; then
	1076	test -d "$at_suite_dir" &&
	1077	find "$at_suite_dir" -type d ! -perm -700 -exec chmod u+rwx \{\} \;
	1078	rm -f -r "$at_suite_dir" "$at_suite_log"
	1079	exit $?
	1080	fi
	1081
	1082	# Don't take risks: use only absolute directories in PATH.
	1083	#
	1084	# For stand-alone test suites (ie. atconfig was not found),
	1085	# AUTOTEST_PATH is relative to `.'.
	1086	#
	1087	# For embedded test suites, AUTOTEST_PATH is relative to the top level
	1088	# of the package. Then expand it into build/src parts, since users
	1089	# may create executables in both places.
	1090	AUTOTEST_PATH=`$as_echo "$AUTOTEST_PATH" \| sed "s\|:\|$PATH_SEPARATOR\|g"`
	1091	at_path=
	1092	as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
	1093	for as_dir in $AUTOTEST_PATH $PATH
	1094	do
	1095	IFS=$as_save_IFS
	1096	test -z "$as_dir" && as_dir=.
	1097	test -n "$at_path" && as_fn_append at_path $PATH_SEPARATOR
	1098	case $as_dir in
	1099	[\\/]* \| ?:[\\/]* )
	1100	as_fn_append at_path "$as_dir"
	1101	;;
	1102	* )
	1103	if test -z "$at_top_build_prefix"; then
	1104	# Stand-alone test suite.
	1105	as_fn_append at_path "$as_dir"
	1106	else
	1107	# Embedded test suite.
	1108	as_fn_append at_path "$at_top_build_prefix$as_dir$PATH_SEPARATOR"
	1109	as_fn_append at_path "$at_top_srcdir/$as_dir"
	1110	fi
	1111	;;
	1112	esac
	1113	done
	1114	IFS=$as_save_IFS
	1115
	1116
	1117	# Now build and simplify PATH.
	1118	#
	1119	# There might be directories that don't exist, but don't redirect
	1120	# builtins' (eg., cd) stderr directly: Ultrix's sh hates that.
	1121	at_new_path=
	1122	as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
	1123	for as_dir in $at_path
	1124	do
	1125	IFS=$as_save_IFS
	1126	test -z "$as_dir" && as_dir=.
	1127	test -d "$as_dir" \|\| continue
	1128	case $as_dir in
	1129	[\\/]* \| ?:[\\/]* ) ;;
	1130	* ) as_dir=`(cd "$as_dir" && pwd) 2>/dev/null` ;;
	1131	esac
	1132	case $PATH_SEPARATOR$at_new_path$PATH_SEPARATOR in
	1133	$PATH_SEPARATOR$as_dir$PATH_SEPARATOR) ;;
	1134	$PATH_SEPARATOR$PATH_SEPARATOR) at_new_path=$as_dir ;;
	1135	*) as_fn_append at_new_path "$PATH_SEPARATOR$as_dir" ;;
	1136	esac
	1137	done
	1138	IFS=$as_save_IFS
	1139
	1140	PATH=$at_new_path
	1141	export PATH
	1142
	1143	# Setting up the FDs.
	1144
	1145
	1146	# 5 is the log file. Not to be overwritten if `-d'.
	1147	if $at_debug_p; then
	1148	at_suite_log=/dev/null
	1149	else
	1150	: >"$at_suite_log"
	1151	fi
	1152	exec 5>>"$at_suite_log"
	1153
	1154	# Banners and logs.
	1155	cat <<\_ASBOX
	1156	## ---------------------------------------------- ##
	1157	## Molecuilder 1.0 test suite: Molecular Builder. ##
	1158	## ---------------------------------------------- ##
	1159	_ASBOX
	1160	{
	1161	cat <<\_ASBOX
	1162	## ---------------------------------------------- ##
	1163	## Molecuilder 1.0 test suite: Molecular Builder. ##
	1164	## ---------------------------------------------- ##
	1165	_ASBOX
	1166	echo
	1167
	1168	$as_echo "$as_me: command line was:"
	1169	$as_echo " \$ $0 $at_cli_args"
	1170	echo
	1171
	1172	# Try to find a few ChangeLogs in case it might help determining the
	1173	# exact version. Use the relative dir: if the top dir is a symlink,
	1174	# find will not follow it (and options to follow the links are not
	1175	# portable), which would result in no output here. Prune directories
	1176	# matching the package tarname, since they tend to be leftovers from
	1177	# `make dist' or `make distcheck' and contain redundant or stale logs.
	1178	if test -n "$at_top_srcdir"; then
	1179	cat <<\_ASBOX
	1180	## ----------- ##
	1181	## ChangeLogs. ##
	1182	## ----------- ##
	1183	_ASBOX
	1184	echo
	1185	for at_file in `find "$at_top_srcdir" -name "molecuilder-*" -prune -o -name ChangeLog -print`
	1186	do
	1187	$as_echo "$as_me: $at_file:"
	1188	sed 's/^/\| /;10q' $at_file
	1189	echo
	1190	done
	1191
	1192	fi
	1193
	1194	{
	1195	cat <<_ASUNAME
	1196	## --------- ##
	1197	## Platform. ##
	1198	## --------- ##
	1199
	1200	hostname = `(hostname \|\| uname -n) 2>/dev/null \| sed 1q`
	1201	uname -m = `(uname -m) 2>/dev/null \|\| echo unknown`
	1202	uname -r = `(uname -r) 2>/dev/null \|\| echo unknown`
	1203	uname -s = `(uname -s) 2>/dev/null \|\| echo unknown`
	1204	uname -v = `(uname -v) 2>/dev/null \|\| echo unknown`
	1205
	1206	/usr/bin/uname -p = `(/usr/bin/uname -p) 2>/dev/null \|\| echo unknown`
	1207	/bin/uname -X = `(/bin/uname -X) 2>/dev/null \|\| echo unknown`
	1208
	1209	/bin/arch = `(/bin/arch) 2>/dev/null \|\| echo unknown`
	1210	/usr/bin/arch -k = `(/usr/bin/arch -k) 2>/dev/null \|\| echo unknown`
	1211	/usr/convex/getsysinfo = `(/usr/convex/getsysinfo) 2>/dev/null \|\| echo unknown`
	1212	/usr/bin/hostinfo = `(/usr/bin/hostinfo) 2>/dev/null \|\| echo unknown`
	1213	/bin/machine = `(/bin/machine) 2>/dev/null \|\| echo unknown`
	1214	/usr/bin/oslevel = `(/usr/bin/oslevel) 2>/dev/null \|\| echo unknown`
	1215	/bin/universe = `(/bin/universe) 2>/dev/null \|\| echo unknown`
	1216
	1217	_ASUNAME
	1218
	1219	as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
	1220	for as_dir in $PATH
	1221	do
	1222	IFS=$as_save_IFS
	1223	test -z "$as_dir" && as_dir=.
	1224	$as_echo "PATH: $as_dir"
	1225	done
	1226	IFS=$as_save_IFS
	1227
	1228	}
	1229	echo
	1230
	1231	# Contents of the config files.
	1232	for at_file in atconfig atlocal
	1233	do
	1234	test -r $at_file \|\| continue
	1235	$as_echo "$as_me: $at_file:"
	1236	sed 's/^/\| /' $at_file
	1237	echo
	1238	done
	1239	} >&5
	1240
	1241
	1242	## ------------------------- ##
	1243	## Autotest shell functions. ##
	1244	## ------------------------- ##
	1245
	1246	# at_fn_banner NUMBER
	1247	# -------------------
	1248	# Output banner NUMBER, provided the testsuite is running multiple groups and
	1249	# this particular banner has not yet been printed.
	1250	at_fn_banner ()
	1251	{
	1252	$at_print_banners \|\| return 0
	1253	eval at_banner_text=\$at_banner_text_$1
	1254	test "x$at_banner_text" = x && return 0
	1255	eval at_banner_text_$1=
	1256	$as_echo "$as_nl$at_banner_text$as_nl"
	1257	} # at_fn_banner
	1258
	1259	# at_fn_check_prepare_notrace REASON LINE
	1260	# ---------------------------------------
	1261	# Perform AT_CHECK preparations for the command at LINE for an untraceable
	1262	# command; REASON is the reason for disabling tracing.
	1263	at_fn_check_prepare_notrace ()
	1264	{
	1265	$at_trace_echo "Not enabling shell tracing (command contains $1)"
	1266	$as_echo "$2" >"$at_check_line_file"
	1267	at_check_trace=: at_check_filter=:
	1268	: >"$at_stdout"; : >"$at_stderr"
	1269	}
	1270
	1271	# at_fn_check_prepare_trace LINE
	1272	# ------------------------------
	1273	# Perform AT_CHECK preparations for the command at LINE for a traceable
	1274	# command.
	1275	at_fn_check_prepare_trace ()
	1276	{
	1277	$as_echo "$1" >"$at_check_line_file"
	1278	at_check_trace=$at_traceon at_check_filter=$at_check_filter_trace
	1279	: >"$at_stdout"; : >"$at_stderr"
	1280	}
	1281
	1282	# at_fn_check_prepare_dynamic COMMAND LINE
	1283	# ----------------------------------------
	1284	# Decide if COMMAND at LINE is traceable at runtime, and call the appropriate
	1285	# preparation function.
	1286	at_fn_check_prepare_dynamic ()
	1287	{
	1288	case $1 in
	1289	$as_nl)
	1290	at_fn_check_prepare_notrace 'an embedded newline' "$2" ;;
	1291	*)
	1292	at_fn_check_prepare_trace "$2" ;;
	1293	esac
	1294	}
	1295
	1296	# at_fn_filter_trace
	1297	# ------------------
	1298	# Remove the lines in the file "$at_stderr" generated by "set -x" and print
	1299	# them to stderr.
	1300	at_fn_filter_trace ()
	1301	{
	1302	mv "$at_stderr" "$at_stder1"
	1303	grep '^ *+' "$at_stder1" >&2
	1304	grep -v '^ *+' "$at_stder1" >"$at_stderr"
	1305	}
	1306
	1307	# at_fn_log_failure FILE-LIST
	1308	# ---------------------------
	1309	# Copy the files in the list on stdout with a "> " prefix, and exit the shell
	1310	# with a failure exit code.
	1311	at_fn_log_failure ()
	1312	{
	1313	for file
	1314	do $as_echo "$file:"; sed 's/^/> /' "$file"; done
	1315	echo 1 > "$at_status_file"
	1316	exit 1
	1317	}
	1318
	1319	# at_fn_check_skip EXIT-CODE LINE
	1320	# -------------------------------
	1321	# Check whether EXIT-CODE is a special exit code (77 or 99), and if so exit
	1322	# the test group subshell with that same exit code. Use LINE in any report
	1323	# about test failure.
	1324	at_fn_check_skip ()
	1325	{
	1326	case $1 in
	1327	99) echo 99 > "$at_status_file"; at_failed=:
	1328	$as_echo "$2: hard failure"; exit 99;;
	1329	77) echo 77 > "$at_status_file"; exit 77;;
	1330	esac
	1331	}
	1332
	1333	# at_fn_check_status EXPECTED EXIT-CODE LINE
	1334	# ------------------------------------------
	1335	# Check whether EXIT-CODE is the EXPECTED exit code, and if so do nothing.
	1336	# Otherwise, if it is 77 or 99, exit the test group subshell with that same
	1337	# exit code; if it is anything else print an error message referring to LINE,
	1338	# and fail the test.
	1339	at_fn_check_status ()
	1340	{
	1341	case $2 in
	1342	$1 ) ;;
	1343	77) echo 77 > "$at_status_file"; exit 77;;
	1344	99) echo 99 > "$at_status_file"; at_failed=:
	1345	$as_echo "$3: hard failure"; exit 99;;
	1346	*) $as_echo "$3: exit code was $2, expected $1"
	1347	at_failed=:;;
	1348	esac
	1349	}
	1350
	1351	# at_fn_diff_devnull FILE
	1352	# -----------------------
	1353	# Emit a diff between /dev/null and FILE. Uses "test -s" to avoid useless diff
	1354	# invocations.
	1355	at_fn_diff_devnull ()
	1356	{
	1357	test -s "$1" \|\| return 0
	1358	$at_diff "$at_devnull" "$1"
	1359	}
	1360
	1361	# at_fn_test NUMBER
	1362	# -----------------
	1363	# Parse out test NUMBER from the tail of this file.
	1364	at_fn_test ()
	1365	{
	1366	eval at_sed=\$at_sed$1
	1367	sed "$at_sed" "$at_myself" > "$at_test_source"
	1368	}
	1369
	1370	# at_fn_create_debugging_script
	1371	# -----------------------------
	1372	# Create the debugging script $at_group_dir/run which will reproduce the
	1373	# current test group.
	1374	at_fn_create_debugging_script ()
	1375	{
	1376	{
	1377	echo "#! /bin/sh" &&
	1378	echo 'test "${ZSH_VERSION+set}" = set && alias -g '\''${1+"$@"}'\''='\''"$@"'\''' &&
	1379	$as_echo "cd '$at_dir'" &&
	1380	$as_echo "exec \${CONFIG_SHELL-$SHELL} \"$at_myself\" -v -d $at_debug_args $at_group \${1+\"\$@\"}" &&
	1381	echo 'exit 1'
	1382	} >"$at_group_dir/run" &&
	1383	chmod +x "$at_group_dir/run"
	1384	}
	1385
	1386	## -------------------------------- ##
	1387	## End of autotest shell functions. ##
	1388	## -------------------------------- ##
	1389	{
	1390	cat <<\_ASBOX
	1391	## ---------------- ##
	1392	## Tested programs. ##
	1393	## ---------------- ##
	1394	_ASBOX
	1395	echo
	1396	} >&5
	1397
	1398	# Report what programs are being tested.
	1399	for at_program in : $at_tested
	1400	do
	1401	test "$at_program" = : && continue
	1402	case $at_program in
	1403	[\\/]* \| ?:[\\/]* ) $at_program_=$at_program ;;
	1404	* )
	1405	as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
	1406	for as_dir in $PATH
	1407	do
	1408	IFS=$as_save_IFS
	1409	test -z "$as_dir" && as_dir=.
	1410	test -f "$as_dir/$at_program" && break
	1411	done
	1412	IFS=$as_save_IFS
	1413
	1414	at_program_=$as_dir/$at_program ;;
	1415	esac
	1416	if test -f "$at_program_"; then
	1417	{
	1418	$as_echo "$at_srcdir/testsuite.at:6: $at_program_ --version"
	1419	"$at_program_" --version </dev/null
	1420	echo
	1421	} >&5 2>&1
	1422	else
	1423	as_fn_error "cannot find $at_program" "$LINENO" 5
	1424	fi
	1425	done
	1426
	1427	{
	1428	cat <<\_ASBOX
	1429	## ------------------ ##
	1430	## Running the tests. ##
	1431	## ------------------ ##
	1432	_ASBOX
	1433	} >&5
	1434
	1435	at_start_date=`date`
	1436	at_start_time=`date +%s 2>/dev/null`
	1437	$as_echo "$as_me: starting at: $at_start_date" >&5
	1438
	1439	# Create the master directory if it doesn't already exist.
	1440	as_dir="$at_suite_dir"; as_fn_mkdir_p \|\|
	1441	as_fn_error "cannot create \`$at_suite_dir'" "$LINENO" 5
	1442
	1443	# Can we diff with `/dev/null'? DU 5.0 refuses.
	1444	if diff /dev/null /dev/null >/dev/null 2>&1; then
	1445	at_devnull=/dev/null
	1446	else
	1447	at_devnull=$at_suite_dir/devnull
	1448	>"$at_devnull"
	1449	fi
	1450
	1451	# Use `diff -u' when possible.
	1452	if at_diff=`diff -u "$at_devnull" "$at_devnull" 2>&1` && test -z "$at_diff"
	1453	then
	1454	at_diff='diff -u'
	1455	else
	1456	at_diff=diff
	1457	fi
	1458
	1459	# Get the last needed group.
	1460	for at_group in : $at_groups; do :; done
	1461
	1462	# Extract the start and end lines of each test group at the tail
	1463	# of this file
	1464	awk '
	1465	BEGIN { FS="" }
	1466	/^#AT_START_/ {
	1467	start = NR
	1468	}
	1469	/^#AT_STOP_/ {
	1470	test = substr ($ 0, 10)
	1471	print "at_sed" test "=\"1," start "d;" (NR-1) "q\""
	1472	if (test == "'"$at_group"'") exit
	1473	}' "$at_myself" > "$at_suite_dir/at-source-lines" &&
	1474	. "$at_suite_dir/at-source-lines" \|\|
	1475	as_fn_error "cannot create test line number cache" "$LINENO" 5
	1476	rm -f "$at_suite_dir/at-source-lines"
	1477
	1478	# Set number of jobs for `-j'; avoid more jobs than test groups.
	1479	set X $at_groups; shift; at_max_jobs=$#
	1480	if test $at_max_jobs -eq 0; then
	1481	at_jobs=1
	1482	fi
	1483	if test $at_jobs -ne 1 &&
	1484	{ test $at_jobs -eq 0 \|\| test $at_jobs -gt $at_max_jobs; }; then
	1485	at_jobs=$at_max_jobs
	1486	fi
	1487
	1488	# If parallel mode, don't output banners, don't split summary lines.
	1489	if test $at_jobs -ne 1; then
	1490	at_print_banners=false
	1491	at_quiet=:
	1492	fi
	1493
	1494	# Set up helper dirs.
	1495	rm -rf "$at_helper_dir" &&
	1496	mkdir "$at_helper_dir" &&
	1497	cd "$at_helper_dir" &&
	1498	{ test -z "$at_groups" \|\| mkdir $at_groups; } \|\|
	1499	as_fn_error "testsuite directory setup failed" "$LINENO" 5
	1500
	1501	# Functions for running a test group. We leave the actual
	1502	# test group execution outside of a shell function in order
	1503	# to avoid hitting zsh 4.x exit status bugs.
	1504
	1505	# at_fn_group_prepare
	1506	# -------------------
	1507	# Prepare running a test group.
	1508	at_fn_group_prepare ()
	1509	{
	1510	# The directory for additional per-group helper files.
	1511	at_job_dir=$at_helper_dir/$at_group
	1512	# The file containing the location of the last AT_CHECK.
	1513	at_check_line_file=$at_job_dir/check-line
	1514	# The file containing the exit status of the last command.
	1515	at_status_file=$at_job_dir/status
	1516	# The files containing the output of the tested commands.
	1517	at_stdout=$at_job_dir/stdout
	1518	at_stder1=$at_job_dir/stder1
	1519	at_stderr=$at_job_dir/stderr
	1520	# The file containing the code for a test group.
	1521	at_test_source=$at_job_dir/test-source
	1522	# The file containing dates.
	1523	at_times_file=$at_job_dir/times
	1524
	1525	# Be sure to come back to the top test directory.
	1526	cd "$at_suite_dir"
	1527
	1528	# Clearly separate the test groups when verbose.
	1529	$at_first \|\| $at_verbose echo
	1530
	1531	at_group_normalized=$at_group
	1532
	1533	eval 'while :; do
	1534	case $at_group_normalized in #(
	1535	'"$at_format"'*) break;;
	1536	esac
	1537	at_group_normalized=0$at_group_normalized
	1538	done'
	1539
	1540
	1541	# Create a fresh directory for the next test group, and enter.
	1542	# If one already exists, the user may have invoked ./run from
	1543	# within that directory; we remove the contents, but not the
	1544	# directory itself, so that we aren't pulling the rug out from
	1545	# under the shell's notion of the current directory.
	1546	at_group_dir=$at_suite_dir/$at_group_normalized
	1547	at_group_log=$at_group_dir/$as_me.log
	1548	if test -d "$at_group_dir"; then
	1549	find "$at_group_dir" -type d ! -perm -700 -exec chmod u+rwx {} \;
	1550	rm -fr "$at_group_dir"/* "$at_group_dir"/.[!.] "$at_group_dir"/.??*
	1551	fi \|\|
	1552	{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: test directory for $at_group_normalized could not be cleaned." >&5
	1553	$as_echo "$as_me: WARNING: test directory for $at_group_normalized could not be cleaned." >&2;}
	1554	# Be tolerant if the above `rm' was not able to remove the directory.
	1555	as_dir="$at_group_dir"; as_fn_mkdir_p
	1556
	1557	echo 0 > "$at_status_file"
	1558
	1559	# In verbose mode, append to the log file and show on
	1560	# the standard output; in quiet mode only write to the log.
	1561	if test -z "$at_verbose"; then
	1562	at_tee_pipe='tee -a "$at_group_log"'
	1563	else
	1564	at_tee_pipe='cat >> "$at_group_log"'
	1565	fi
	1566	}
	1567
	1568	# at_fn_group_postprocess
	1569	# -----------------------
	1570	# Perform cleanup after running a test group.
	1571	at_fn_group_postprocess ()
	1572	{
	1573	# Be sure to come back to the suite directory, in particular
	1574	# since below we might `rm' the group directory we are in currently.
	1575	cd "$at_suite_dir"
	1576
	1577	if test ! -f "$at_check_line_file"; then
	1578	sed "s/^ */$as_me: WARNING: /" <<_ATEOF
	1579	A failure happened in a test group before any test could be
	1580	run. This means that test suite is improperly designed. Please
	1581	report this failure to <heber@ins.uni-bonn.de>.
	1582	_ATEOF
	1583	$as_echo "$at_setup_line" >"$at_check_line_file"
	1584	at_status=99
	1585	fi
	1586	$at_verbose $as_echo_n "$at_group. $at_setup_line: "
	1587	$as_echo_n "$at_group. $at_setup_line: " >> "$at_group_log"
	1588	case $at_xfail:$at_status in
	1589	*:99)
	1590	at_msg='FAILED ('`cat "$at_check_line_file"`')'
	1591	at_res=fail
	1592	at_errexit=$at_errexit_p
	1593	;;
	1594	yes:0)
	1595	at_msg="UNEXPECTED PASS"
	1596	at_res=xpass
	1597	at_errexit=$at_errexit_p
	1598	;;
	1599	no:0)
	1600	at_msg="ok"
	1601	at_res=pass
	1602	at_errexit=false
	1603	;;
	1604	*:77)
	1605	at_msg='skipped ('`cat "$at_check_line_file"`')'
	1606	at_res=skip
	1607	at_errexit=false
	1608	;;
	1609	yes:*)
	1610	at_msg='expected failure ('`cat "$at_check_line_file"`')'
	1611	at_res=xfail
	1612	at_errexit=false
	1613	;;
	1614	no:*)
	1615	at_msg='FAILED ('`cat "$at_check_line_file"`')'
	1616	at_res=fail
	1617	at_errexit=$at_errexit_p
	1618	;;
	1619	esac
	1620	echo "$at_res" > "$at_job_dir/$at_res"
	1621	# In parallel mode, output the summary line only afterwards.
	1622	if test $at_jobs -ne 1 && test -n "$at_verbose"; then
	1623	$as_echo "$at_desc_line $at_msg"
	1624	else
	1625	# Make sure there is a separator even with long titles.
	1626	$as_echo " $at_msg"
	1627	fi
	1628	at_log_msg="$at_group. $at_desc ($at_setup_line): $at_msg"
	1629	case $at_status in
	1630	0\|77)
	1631	# $at_times_file is only available if the group succeeded.
	1632	# We're not including the group log, so the success message
	1633	# is written in the global log separately. But we also
	1634	# write to the group log in case they're using -d.
	1635	if test -f "$at_times_file"; then
	1636	at_log_msg="$at_log_msg ("`sed 1d "$at_times_file"`')'
	1637	rm -f "$at_times_file"
	1638	fi
	1639	$as_echo "$at_log_msg" >> "$at_group_log"
	1640	$as_echo "$at_log_msg" >&5
	1641
	1642	# Cleanup the group directory, unless the user wants the files.
	1643	if $at_debug_p; then
	1644	at_fn_create_debugging_script
	1645	else
	1646	if test -d "$at_group_dir"; then
	1647	find "$at_group_dir" -type d ! -perm -700 -exec chmod u+rwx \{\} \;
	1648	rm -fr "$at_group_dir"
	1649	fi
	1650	rm -f "$at_test_source"
	1651	fi
	1652	;;
	1653	*)
	1654	# Upon failure, include the log into the testsuite's global
	1655	# log. The failure message is written in the group log. It
	1656	# is later included in the global log.
	1657	$as_echo "$at_log_msg" >> "$at_group_log"
	1658
	1659	# Upon failure, keep the group directory for autopsy, and create
	1660	# the debugging script. With -e, do not start any further tests.
	1661	at_fn_create_debugging_script
	1662	if $at_errexit; then
	1663	echo stop > "$at_stop_file"
	1664	fi
	1665	;;
	1666	esac
	1667	}
	1668
	1669
	1670	## ------------ ##
	1671	## Driver loop. ##
	1672	## ------------ ##
	1673
	1674
	1675	if (set -m && set +m && set +b) >/dev/null 2>&1; then
	1676	set +b
	1677	at_job_control_on='set -m' at_job_control_off='set +m' at_job_group=-
	1678	else
	1679	at_job_control_on=: at_job_control_off=: at_job_group=
	1680	fi
	1681
	1682	for at_signal in 1 2 15; do
	1683	trap 'set +x; set +e
	1684	$at_job_control_off
	1685	at_signal='"$at_signal"'
	1686	echo stop > "$at_stop_file"
	1687	trap "" $at_signal
	1688	at_pgids=
	1689	for at_pgid in `jobs -p 2>/dev/null`; do
	1690	at_pgids="$at_pgids $at_job_group$at_pgid"
	1691	done
	1692	test -z "$at_pgids" \|\| kill -$at_signal $at_pgids 2>/dev/null
	1693	wait
	1694	if test "$at_jobs" -eq 1 \|\| test -z "$at_verbose"; then
	1695	echo >&2
	1696	fi
	1697	at_signame=`kill -l $at_signal 2>&1 \|\| echo $at_signal`
	1698	set x $at_signame
	1699	test 1 -gt 2 && at_signame=$at_signal
	1700	{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: caught signal $at_signame, bailing out" >&5
	1701	$as_echo "$as_me: WARNING: caught signal $at_signame, bailing out" >&2;}
	1702	as_fn_arith 128 + $at_signal && exit_status=$as_val
	1703	as_fn_exit $exit_status' $at_signal
	1704	done
	1705
	1706	rm -f "$at_stop_file"
	1707	at_first=:
	1708
	1709	if test $at_jobs -ne 1 &&
	1710	rm -f "$at_job_fifo" &&
	1711	test -n "$at_job_group" &&
	1712	( mkfifo "$at_job_fifo" && trap 'exit 1' PIPE STOP TSTP ) 2>/dev/null
	1713	then
	1714	# FIFO job dispatcher.
	1715
	1716	trap 'at_pids=
	1717	for at_pid in `jobs -p`; do
	1718	at_pids="$at_pids $at_job_group$at_pid"
	1719	done
	1720	if test -n "$at_pids"; then
	1721	at_sig=TSTP
	1722	test "${TMOUT+set}" = set && at_sig=STOP
	1723	kill -$at_sig $at_pids 2>/dev/null
	1724	fi
	1725	kill -STOP $$
	1726	test -z "$at_pids" \|\| kill -CONT $at_pids 2>/dev/null' TSTP
	1727
	1728	echo
	1729	# Turn jobs into a list of numbers, starting from 1.
	1730	at_joblist=`$as_echo " $at_groups_all " \| \
	1731	sed 's/$ '$at_jobs'$ .*/\1/'`
	1732
	1733	set X $at_joblist
	1734	shift
	1735	for at_group in $at_groups; do
	1736	$at_job_control_on 2>/dev/null
	1737	(
	1738	# Start one test group.
	1739	$at_job_control_off
	1740	exec 6>"$at_job_fifo"
	1741	trap 'set +x; set +e
	1742	trap "" PIPE
	1743	echo stop > "$at_stop_file"
	1744	echo token >&6
	1745	as_fn_exit 141' PIPE
	1746	at_fn_group_prepare
	1747	if cd "$at_group_dir" &&
	1748	at_fn_test $at_group &&
	1749	. "$at_test_source" # AT_JOB_FIFO_FD>&-
	1750	then :; else
	1751	{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: unable to parse test group: $at_group" >&5
	1752	$as_echo "$as_me: WARNING: unable to parse test group: $at_group" >&2;}
	1753	at_failed=:
	1754	fi
	1755	at_fn_group_postprocess
	1756	echo token >&6
	1757	) &
	1758	$at_job_control_off
	1759	if $at_first; then
	1760	at_first=false
	1761	exec 6<"$at_job_fifo"
	1762	fi
	1763	shift # Consume one token.
	1764	if test $# -gt 0; then :; else
	1765	read at_token <&6 \|\| break
	1766	set x $*
	1767	fi
	1768	test -f "$at_stop_file" && break
	1769	done
	1770	# Read back the remaining ($at_jobs - 1) tokens.
	1771	set X $at_joblist
	1772	shift
	1773	if test $# -gt 0; then
	1774	shift
	1775	for at_job
	1776	do
	1777	read at_token
	1778	done <&6
	1779	fi
	1780	exec 6<&-
	1781	wait
	1782	else
	1783	# Run serially, avoid forks and other potential surprises.
	1784	for at_group in $at_groups; do
	1785	at_fn_group_prepare
	1786	if cd "$at_group_dir" &&
	1787	at_fn_test $at_group &&
	1788	. "$at_test_source"; then :; else
	1789	{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: unable to parse test group: $at_group" >&5
	1790	$as_echo "$as_me: WARNING: unable to parse test group: $at_group" >&2;}
	1791	at_failed=:
	1792	fi
	1793	at_fn_group_postprocess
	1794	test -f "$at_stop_file" && break
	1795	at_first=false
	1796	done
	1797	fi
	1798
	1799	# Wrap up the test suite with summary statistics.
	1800	cd "$at_helper_dir"
	1801
	1802	# Use ?..???? when the list must remain sorted, the faster * otherwise.
	1803	at_pass_list=`for f in /pass; do echo $f; done \| sed '/\/d; s,/pass,,'`
	1804	at_skip_list=`for f in /skip; do echo $f; done \| sed '/\/d; s,/skip,,'`
	1805	at_xfail_list=`for f in /xfail; do echo $f; done \| sed '/\/d; s,/xfail,,'`
	1806	at_xpass_list=`for f in ?/xpass ??/xpass ???/xpass ????/xpass; do
	1807	echo $f; done \| sed '/?/d; s,/xpass,,'`
	1808	at_fail_list=`for f in ?/fail ??/fail ???/fail ????/fail; do
	1809	echo $f; done \| sed '/?/d; s,/fail,,'`
	1810
	1811	set X $at_pass_list $at_xpass_list $at_xfail_list $at_fail_list $at_skip_list
	1812	shift; at_group_count=$#
	1813	set X $at_xpass_list; shift; at_xpass_count=$#; at_xpass_list=$*
	1814	set X $at_xfail_list; shift; at_xfail_count=$#
	1815	set X $at_fail_list; shift; at_fail_count=$#; at_fail_list=$*
	1816	set X $at_skip_list; shift; at_skip_count=$#
	1817
	1818	as_fn_arith $at_group_count - $at_skip_count && at_run_count=$as_val
	1819	as_fn_arith $at_xpass_count + $at_fail_count && at_unexpected_count=$as_val
	1820	as_fn_arith $at_xfail_count + $at_fail_count && at_total_fail_count=$as_val
	1821
	1822	# Back to the top directory.
	1823	cd "$at_dir"
	1824	rm -rf "$at_helper_dir"
	1825
	1826	# Compute the duration of the suite.
	1827	at_stop_date=`date`
	1828	at_stop_time=`date +%s 2>/dev/null`
	1829	$as_echo "$as_me: ending at: $at_stop_date" >&5
	1830	case $at_start_time,$at_stop_time in
	1831	[0-9],[0-9])
	1832	as_fn_arith $at_stop_time - $at_start_time && at_duration_s=$as_val
	1833	as_fn_arith $at_duration_s / 60 && at_duration_m=$as_val
	1834	as_fn_arith $at_duration_m / 60 && at_duration_h=$as_val
	1835	as_fn_arith $at_duration_s % 60 && at_duration_s=$as_val
	1836	as_fn_arith $at_duration_m % 60 && at_duration_m=$as_val
	1837	at_duration="${at_duration_h}h ${at_duration_m}m ${at_duration_s}s"
	1838	$as_echo "$as_me: test suite duration: $at_duration" >&5
	1839	;;
	1840	esac
	1841
	1842	echo
	1843	cat <<\_ASBOX
	1844	## ------------- ##
	1845	## Test results. ##
	1846	## ------------- ##
	1847	_ASBOX
	1848	echo
	1849	{
	1850	echo
	1851	cat <<\_ASBOX
	1852	## ------------- ##
	1853	## Test results. ##
	1854	## ------------- ##
	1855	_ASBOX
	1856	echo
	1857	} >&5
	1858
	1859	if test $at_run_count = 1; then
	1860	at_result="1 test"
	1861	at_were=was
	1862	else
	1863	at_result="$at_run_count tests"
	1864	at_were=were
	1865	fi
	1866	if $at_errexit_p && test $at_unexpected_count != 0; then
	1867	if test $at_xpass_count = 1; then
	1868	at_result="$at_result $at_were run, one passed"
	1869	else
	1870	at_result="$at_result $at_were run, one failed"
	1871	fi
	1872	at_result="$at_result unexpectedly and inhibited subsequent tests."
	1873	else
	1874	# Don't you just love exponential explosion of the number of cases?
	1875	case $at_xpass_count:$at_fail_count:$at_xfail_count in
	1876	# So far, so good.
	1877	0:0:0) at_result="$at_result $at_were successful." ;;
	1878	0:0:*) at_result="$at_result behaved as expected." ;;
	1879
	1880	# Some unexpected failures
	1881	0:*:0) at_result="$at_result $at_were run,
	1882	$at_fail_count failed unexpectedly." ;;
	1883
	1884	# Some failures, both expected and unexpected
	1885	0:*:1) at_result="$at_result $at_were run,
	1886	$at_total_fail_count failed ($at_xfail_count expected failure)." ;;
	1887	0::) at_result="$at_result $at_were run,
	1888	$at_total_fail_count failed ($at_xfail_count expected failures)." ;;
	1889
	1890	# No unexpected failures, but some xpasses
	1891	:0:) at_result="$at_result $at_were run,
	1892	$at_xpass_count passed unexpectedly." ;;
	1893
	1894	# No expected failures, but failures and xpasses
	1895	*:1:0) at_result="$at_result $at_were run,
	1896	$at_unexpected_count did not behave as expected ($at_fail_count unexpected failure)." ;;
	1897	::0) at_result="$at_result $at_were run,
	1898	$at_unexpected_count did not behave as expected ($at_fail_count unexpected failures)." ;;
	1899
	1900	# All of them.
	1901	::1) at_result="$at_result $at_were run,
	1902	$at_xpass_count passed unexpectedly,
	1903	$at_total_fail_count failed ($at_xfail_count expected failure)." ;;
	1904	::*) at_result="$at_result $at_were run,
	1905	$at_xpass_count passed unexpectedly,
	1906	$at_total_fail_count failed ($at_xfail_count expected failures)." ;;
	1907	esac
	1908
	1909	if test $at_skip_count = 0 && test $at_run_count -gt 1; then
	1910	at_result="All $at_result"
	1911	fi
	1912	fi
	1913
	1914	# Now put skips in the mix.
	1915	case $at_skip_count in
	1916	0) ;;
	1917	1) at_result="$at_result
	1918	1 test was skipped." ;;
	1919	*) at_result="$at_result
	1920	$at_skip_count tests were skipped." ;;
	1921	esac
	1922
	1923	if test $at_unexpected_count = 0; then
	1924	echo "$at_result"
	1925	echo "$at_result" >&5
	1926	else
	1927	echo "ERROR: $at_result" >&2
	1928	echo "ERROR: $at_result" >&5
	1929	{
	1930	echo
	1931	cat <<\_ASBOX
	1932	## ------------------------ ##
	1933	## Summary of the failures. ##
	1934	## ------------------------ ##
	1935	_ASBOX
	1936
	1937	# Summary of failed and skipped tests.
	1938	if test $at_fail_count != 0; then
	1939	echo "Failed tests:"
	1940	$SHELL "$at_myself" $at_fail_list --list
	1941	echo
	1942	fi
	1943	if test $at_skip_count != 0; then
	1944	echo "Skipped tests:"
	1945	$SHELL "$at_myself" $at_skip_list --list
	1946	echo
	1947	fi
	1948	if test $at_xpass_count != 0; then
	1949	echo "Unexpected passes:"
	1950	$SHELL "$at_myself" $at_xpass_list --list
	1951	echo
	1952	fi
	1953	if test $at_fail_count != 0; then
	1954	cat <<\_ASBOX
	1955	## ---------------------- ##
	1956	## Detailed failed tests. ##
	1957	## ---------------------- ##
	1958	_ASBOX
	1959	echo
	1960	for at_group in $at_fail_list
	1961	do
	1962	at_group_normalized=$at_group
	1963
	1964	eval 'while :; do
	1965	case $at_group_normalized in #(
	1966	'"$at_format"'*) break;;
	1967	esac
	1968	at_group_normalized=0$at_group_normalized
	1969	done'
	1970
	1971	cat "$at_suite_dir/$at_group_normalized/$as_me.log"
	1972	echo
	1973	done
	1974	echo
	1975	fi
	1976	if test -n "$at_top_srcdir"; then
	1977	sed 'h;s/./-/g;s/^.../## /;s/...$/ ##/;p;x;p;x' <<_ASBOX
	1978	## ${at_top_build_prefix}config.log ##
	1979	_ASBOX
	1980	sed 's/^/\| /' ${at_top_build_prefix}config.log
	1981	echo
	1982	fi
	1983	} >&5
	1984
	1985	sed 'h;s/./-/g;s/^.../## /;s/...$/ ##/;p;x;p;x' <<_ASBOX
	1986	## $as_me.log was created. ##
	1987	_ASBOX
	1988
	1989	echo
	1990	if $at_debug_p; then
	1991	at_msg='per-test log files'
	1992	else
	1993	at_msg="\`${at_testdir+${at_testdir}/}$as_me.log'"
	1994	fi
	1995	$as_echo "Please send $at_msg and all information you think might help:
	1996
	1997	To: <heber@ins.uni-bonn.de>
	1998	Subject: [Molecuilder 1.0] $as_me: $at_fail_list${at_fail_list:+ failed${at_xpass_list:+, }}$at_xpass_list${at_xpass_list:+ passed unexpectedly}
	1999
	2000	You may investigate any problem if you feel able to do so, in which
	2001	case the test suite provides a good starting point. Its output may
	2002	be found below \`${at_testdir+${at_testdir}/}$as_me.dir'.
	2003	"
	2004	exit 1
	2005	fi
	2006
	2007	exit 0
	2008
	2009	## ------------- ##
	2010	## Actual tests. ##
	2011	## ------------- ##
	2012	#AT_START_1
	2013	# 1. testsuite-standard_options.at:3: Standard Options - verbosity
	2014	at_setup_line='testsuite-standard_options.at:3'
	2015	at_fn_banner 1
	2016	at_desc="Standard Options - verbosity"
	2017	at_desc_line=" 1: $at_desc "
	2018	$at_quiet $as_echo_n "$at_desc_line"
	2019	at_xfail=no
	2020	echo "# -- compilation --" >> "$at_group_log"
	2021	(
	2022	$as_echo "1. testsuite-standard_options.at:3: testing ..."
	2023	$at_traceon
	2024
	2025
	2026	{ set +x
	2027	$as_echo "$at_srcdir/testsuite-standard_options.at:5: pwd"
	2028	at_fn_check_prepare_trace "testsuite-standard_options.at:5"
	2029	( $at_check_trace; pwd
	2030	) >>"$at_stdout" 2>>"$at_stderr"
	2031	at_status=$? at_failed=false
	2032	$at_check_filter
	2033	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	2034	echo stdout:; cat "$at_stdout"
	2035	at_fn_check_skip $at_status "$at_srcdir/testsuite-standard_options.at:5"
	2036	$at_failed && at_fn_log_failure
	2037	$at_traceon; }
	2038
	2039	{ set +x
	2040	$as_echo "$at_srcdir/testsuite-standard_options.at:6: ../../molecuilder -v 1"
	2041	at_fn_check_prepare_trace "testsuite-standard_options.at:6"
	2042	( $at_check_trace; ../../molecuilder -v 1
	2043	) >>"$at_stdout" 2>>"$at_stderr"
	2044	at_status=$? at_failed=false
	2045	$at_check_filter
	2046	echo stderr:; cat "$at_stderr"
	2047	echo stdout:; tee stdout <"$at_stdout"
	2048	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:6"
	2049	$at_failed && at_fn_log_failure
	2050	$at_traceon; }
	2051
	2052	{ set +x
	2053	$as_echo "$at_srcdir/testsuite-standard_options.at:7: fgrep olecuilder stdout"
	2054	at_fn_check_prepare_trace "testsuite-standard_options.at:7"
	2055	( $at_check_trace; fgrep olecuilder stdout
	2056	) >>"$at_stdout" 2>>"$at_stderr"
	2057	at_status=$? at_failed=false
	2058	$at_check_filter
	2059	echo stderr:; cat "$at_stderr"
	2060	echo stdout:; cat "$at_stdout"
	2061	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:7"
	2062	$at_failed && at_fn_log_failure
	2063	$at_traceon; }
	2064
	2065	set +x
	2066	$at_times_p && times >"$at_times_file"
	2067	) 5>&1 2>&1 \| eval $at_tee_pipe
	2068	read at_status <"$at_status_file"
	2069	#AT_STOP_1
	2070	#AT_START_2
	2071	# 2. testsuite-standard_options.at:11: Standard Options - help screen
	2072	at_setup_line='testsuite-standard_options.at:11'
	2073	at_fn_banner 1
	2074	at_desc="Standard Options - help screen"
	2075	at_desc_line=" 2: $at_desc "
	2076	$at_quiet $as_echo_n "$at_desc_line"
	2077	at_xfail=no
	2078	echo "# -- compilation --" >> "$at_group_log"
	2079	(
	2080	$as_echo "2. testsuite-standard_options.at:11: testing ..."
	2081	$at_traceon
	2082
	2083
	2084	{ set +x
	2085	$as_echo "$at_srcdir/testsuite-standard_options.at:13: ../../molecuilder -h"
	2086	at_fn_check_prepare_trace "testsuite-standard_options.at:13"
	2087	( $at_check_trace; ../../molecuilder -h
	2088	) >>"$at_stdout" 2>>"$at_stderr"
	2089	at_status=$? at_failed=false
	2090	$at_check_filter
	2091	echo stderr:; cat "$at_stderr"
	2092	echo stdout:; tee stdout <"$at_stdout"
	2093	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:13"
	2094	$at_failed && at_fn_log_failure
	2095	$at_traceon; }
	2096
	2097	{ set +x
	2098	$as_echo "$at_srcdir/testsuite-standard_options.at:14: fgrep \"Give this help screen\" stdout"
	2099	at_fn_check_prepare_trace "testsuite-standard_options.at:14"
	2100	( $at_check_trace; fgrep "Give this help screen" stdout
	2101	) >>"$at_stdout" 2>>"$at_stderr"
	2102	at_status=$? at_failed=false
	2103	$at_check_filter
	2104	echo stderr:; cat "$at_stderr"
	2105	echo stdout:; cat "$at_stdout"
	2106	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:14"
	2107	$at_failed && at_fn_log_failure
	2108	$at_traceon; }
	2109
	2110	set +x
	2111	$at_times_p && times >"$at_times_file"
	2112	) 5>&1 2>&1 \| eval $at_tee_pipe
	2113	read at_status <"$at_status_file"
	2114	#AT_STOP_2
	2115	#AT_START_3
	2116	# 3. testsuite-standard_options.at:18: Standard Options - no element database
	2117	at_setup_line='testsuite-standard_options.at:18'
	2118	at_fn_banner 1
	2119	at_desc="Standard Options - no element database"
	2120	at_desc_line=" 3: $at_desc "
	2121	$at_quiet $as_echo_n "$at_desc_line"
	2122	at_xfail=no
	2123	echo "# -- compilation --" >> "$at_group_log"
	2124	(
	2125	$as_echo "3. testsuite-standard_options.at:18: testing ..."
	2126	$at_traceon
	2127
	2128
	2129	{ set +x
	2130	$as_echo "$at_srcdir/testsuite-standard_options.at:20: ../../molecuilder -e"
	2131	at_fn_check_prepare_trace "testsuite-standard_options.at:20"
	2132	( $at_check_trace; ../../molecuilder -e
	2133	) >>"$at_stdout" 2>>"$at_stderr"
	2134	at_status=$? at_failed=false
	2135	$at_check_filter
	2136	echo stderr:; tee stderr <"$at_stderr"
	2137	echo stdout:; cat "$at_stdout"
	2138	at_fn_check_status 255 $at_status "$at_srcdir/testsuite-standard_options.at:20"
	2139	$at_failed && at_fn_log_failure
	2140	$at_traceon; }
	2141
	2142	{ set +x
	2143	$as_echo "$at_srcdir/testsuite-standard_options.at:21: fgrep \"Not enough or invalid arguments\" stderr"
	2144	at_fn_check_prepare_trace "testsuite-standard_options.at:21"
	2145	( $at_check_trace; fgrep "Not enough or invalid arguments" stderr
	2146	) >>"$at_stdout" 2>>"$at_stderr"
	2147	at_status=$? at_failed=false
	2148	$at_check_filter
	2149	echo stderr:; cat "$at_stderr"
	2150	echo stdout:; cat "$at_stdout"
	2151	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:21"
	2152	$at_failed && at_fn_log_failure
	2153	$at_traceon; }
	2154
	2155	set +x
	2156	$at_times_p && times >"$at_times_file"
	2157	) 5>&1 2>&1 \| eval $at_tee_pipe
	2158	read at_status <"$at_status_file"
	2159	#AT_STOP_3
	2160	#AT_START_4
	2161	# 4. testsuite-standard_options.at:25: Standard Options - element database
	2162	at_setup_line='testsuite-standard_options.at:25'
	2163	at_fn_banner 1
	2164	at_desc="Standard Options - element database"
	2165	at_desc_line=" 4: $at_desc "
	2166	$at_quiet $as_echo_n "$at_desc_line"
	2167	at_xfail=no
	2168	echo "# -- compilation --" >> "$at_group_log"
	2169	(
	2170	$as_echo "4. testsuite-standard_options.at:25: testing ..."
	2171	$at_traceon
	2172
	2173
	2174	cat >elements.db <<'_ATEOF'
	2175	# Covalent radius of each element in Angstroem from CSD (binding is: [Rcov(A)+Rcov(B)-t,Rcov(A)+Rcov(B)+t] with t = 0.4A
	2176	#Element Name Symbol Period Group Block Atomic Number AtomicWeight Covalent Radius vdW Radius
	2177	Hydrogen H 1 1 s 1 1.008 0.23 1.09
	2178	Helium He 1 18 p 2 4.003 1.5 1.4
	2179	_ATEOF
	2180
	2181	{ set +x
	2182	$as_echo "$at_srcdir/testsuite-standard_options.at:32: ../../molecuilder test.conf -e ./"
	2183	at_fn_check_prepare_trace "testsuite-standard_options.at:32"
	2184	( $at_check_trace; ../../molecuilder test.conf -e ./
	2185	) >>"$at_stdout" 2>>"$at_stderr"
	2186	at_status=$? at_failed=false
	2187	$at_check_filter
	2188	echo stderr:; tee stderr <"$at_stderr"
	2189	echo stdout:; tee stdout <"$at_stdout"
	2190	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:32"
	2191	$at_failed && at_fn_log_failure
	2192	$at_traceon; }
	2193
	2194	{ set +x
	2195	$as_echo "$at_srcdir/testsuite-standard_options.at:33: grep -E \"Using.*as elements database.\" stdout"
	2196	at_fn_check_prepare_trace "testsuite-standard_options.at:33"
	2197	( $at_check_trace; grep -E "Using.*as elements database." stdout
	2198	) >>"$at_stdout" 2>>"$at_stderr"
	2199	at_status=$? at_failed=false
	2200	$at_check_filter
	2201	echo stderr:; cat "$at_stderr"
	2202	echo stdout:; cat "$at_stdout"
	2203	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:33"
	2204	$at_failed && at_fn_log_failure
	2205	$at_traceon; }
	2206
	2207	{ set +x
	2208	$as_echo "$at_srcdir/testsuite-standard_options.at:34: fgrep \"Element list loaded successfully.\" stdout"
	2209	at_fn_check_prepare_trace "testsuite-standard_options.at:34"
	2210	( $at_check_trace; fgrep "Element list loaded successfully." stdout
	2211	) >>"$at_stdout" 2>>"$at_stderr"
	2212	at_status=$? at_failed=false
	2213	$at_check_filter
	2214	echo stderr:; cat "$at_stderr"
	2215	echo stdout:; cat "$at_stdout"
	2216	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:34"
	2217	$at_failed && at_fn_log_failure
	2218	$at_traceon; }
	2219
	2220	{ set +x
	2221	$as_echo "$at_srcdir/testsuite-standard_options.at:35: fgrep \"Something went wrong while parsing the other databases!\" stderr"
	2222	at_fn_check_prepare_trace "testsuite-standard_options.at:35"
	2223	( $at_check_trace; fgrep "Something went wrong while parsing the other databases!" stderr
	2224	) >>"$at_stdout" 2>>"$at_stderr"
	2225	at_status=$? at_failed=false
	2226	$at_check_filter
	2227	echo stderr:; cat "$at_stderr"
	2228	echo stdout:; cat "$at_stdout"
	2229	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:35"
	2230	$at_failed && at_fn_log_failure
	2231	$at_traceon; }
	2232
	2233	set +x
	2234	$at_times_p && times >"$at_times_file"
	2235	) 5>&1 2>&1 \| eval $at_tee_pipe
	2236	read at_status <"$at_status_file"
	2237	#AT_STOP_4
	2238	#AT_START_5
	2239	# 5. testsuite-standard_options.at:39: Standard Options - bond length table
	2240	at_setup_line='testsuite-standard_options.at:39'
	2241	at_fn_banner 1
	2242	at_desc="Standard Options - bond length table"
	2243	at_desc_line=" 5: $at_desc "
	2244	$at_quiet $as_echo_n "$at_desc_line"
	2245	at_xfail=no
	2246	echo "# -- compilation --" >> "$at_group_log"
	2247	(
	2248	$as_echo "5. testsuite-standard_options.at:39: testing ..."
	2249	$at_traceon
	2250
	2251
	2252	cat >bondlength.db <<'_ATEOF'
	2253	# bond length database
	2254	1 2
	2255	1 1. 0.
	2256	2 0. 0.
	2257	_ATEOF
	2258
	2259	{ set +x
	2260	$as_echo "$at_srcdir/testsuite-standard_options.at:46: ../../molecuilder test.conf -g bondlength.db"
	2261	at_fn_check_prepare_trace "testsuite-standard_options.at:46"
	2262	( $at_check_trace; ../../molecuilder test.conf -g bondlength.db
	2263	) >>"$at_stdout" 2>>"$at_stderr"
	2264	at_status=$? at_failed=false
	2265	$at_check_filter
	2266	echo stderr:; tee stderr <"$at_stderr"
	2267	echo stdout:; tee stdout <"$at_stdout"
	2268	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:46"
	2269	$at_failed && at_fn_log_failure
	2270	$at_traceon; }
	2271
	2272	{ set +x
	2273	$as_echo "$at_srcdir/testsuite-standard_options.at:47: grep -E \"Using.*as bond length table.\" stdout"
	2274	at_fn_check_prepare_trace "testsuite-standard_options.at:47"
	2275	( $at_check_trace; grep -E "Using.*as bond length table." stdout
	2276	) >>"$at_stdout" 2>>"$at_stderr"
	2277	at_status=$? at_failed=false
	2278	$at_check_filter
	2279	echo stderr:; cat "$at_stderr"
	2280	echo stdout:; cat "$at_stdout"
	2281	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:47"
	2282	$at_failed && at_fn_log_failure
	2283	$at_traceon; }
	2284
	2285	set +x
	2286	$at_times_p && times >"$at_times_file"
	2287	) 5>&1 2>&1 \| eval $at_tee_pipe
	2288	read at_status <"$at_status_file"
	2289	#AT_STOP_5
	2290	#AT_START_6
	2291	# 6. testsuite-standard_options.at:51: Standard Options - fast trajectories
	2292	at_setup_line='testsuite-standard_options.at:51'
	2293	at_fn_banner 1
	2294	at_desc="Standard Options - fast trajectories"
	2295	at_desc_line=" 6: $at_desc "
	2296	$at_quiet $as_echo_n "$at_desc_line"
	2297	at_xfail=no
	2298	echo "# -- compilation --" >> "$at_group_log"
	2299	(
	2300	$as_echo "6. testsuite-standard_options.at:51: testing ..."
	2301	$at_traceon
	2302
	2303
	2304	{ set +x
	2305	$as_echo "$at_srcdir/testsuite-standard_options.at:53: ../../molecuilder test.conf -n"
	2306	at_fn_check_prepare_trace "testsuite-standard_options.at:53"
	2307	( $at_check_trace; ../../molecuilder test.conf -n
	2308	) >>"$at_stdout" 2>>"$at_stderr"
	2309	at_status=$? at_failed=false
	2310	$at_check_filter
	2311	echo stderr:; tee stderr <"$at_stderr"
	2312	echo stdout:; tee stdout <"$at_stdout"
	2313	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:53"
	2314	$at_failed && at_fn_log_failure
	2315	$at_traceon; }
	2316
	2317	{ set +x
	2318	$as_echo "$at_srcdir/testsuite-standard_options.at:54: fgrep \"I won't parse trajectories\" stdout"
	2319	at_fn_check_prepare_trace "testsuite-standard_options.at:54"
	2320	( $at_check_trace; fgrep "I won't parse trajectories" stdout
	2321	) >>"$at_stdout" 2>>"$at_stderr"
	2322	at_status=$? at_failed=false
	2323	$at_check_filter
	2324	echo stderr:; cat "$at_stderr"
	2325	echo stdout:; cat "$at_stdout"
	2326	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:54"
	2327	$at_failed && at_fn_log_failure
	2328	$at_traceon; }
	2329
	2330	set +x
	2331	$at_times_p && times >"$at_times_file"
	2332	) 5>&1 2>&1 \| eval $at_tee_pipe
	2333	read at_status <"$at_status_file"
	2334	#AT_STOP_6
	2335	#AT_START_7
	2336	# 7. testsuite-standard_options.at:58: Standard Options - molecule default name
	2337	at_setup_line='testsuite-standard_options.at:58'
	2338	at_fn_banner 1
	2339	at_desc="Standard Options - molecule default name"
	2340	at_desc_line=" 7: $at_desc "
	2341	$at_quiet $as_echo_n "$at_desc_line"
	2342	at_xfail=no
	2343	echo "# -- compilation --" >> "$at_group_log"
	2344	(
	2345	$as_echo "7. testsuite-standard_options.at:58: testing ..."
	2346	$at_traceon
	2347
	2348
	2349	{ set +x
	2350	$as_echo "$at_srcdir/testsuite-standard_options.at:60: ../../molecuilder test.conf -X test"
	2351	at_fn_check_prepare_trace "testsuite-standard_options.at:60"
	2352	( $at_check_trace; ../../molecuilder test.conf -X test
	2353	) >>"$at_stdout" 2>>"$at_stderr"
	2354	at_status=$? at_failed=false
	2355	$at_check_filter
	2356	echo stderr:; tee stderr <"$at_stderr"
	2357	echo stdout:; tee stdout <"$at_stdout"
	2358	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:60"
	2359	$at_failed && at_fn_log_failure
	2360	$at_traceon; }
	2361
	2362	{ set +x
	2363	$as_echo "$at_srcdir/testsuite-standard_options.at:61: fgrep \"Default name of new molecules set to test.\" stdout"
	2364	at_fn_check_prepare_trace "testsuite-standard_options.at:61"
	2365	( $at_check_trace; fgrep "Default name of new molecules set to test." stdout
	2366	) >>"$at_stdout" 2>>"$at_stderr"
	2367	at_status=$? at_failed=false
	2368	$at_check_filter
	2369	echo stderr:; cat "$at_stderr"
	2370	echo stdout:; cat "$at_stdout"
	2371	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:61"
	2372	$at_failed && at_fn_log_failure
	2373	$at_traceon; }
	2374
	2375	set +x
	2376	$at_times_p && times >"$at_times_file"
	2377	) 5>&1 2>&1 \| eval $at_tee_pipe
	2378	read at_status <"$at_status_file"
	2379	#AT_STOP_7
	2380	#AT_START_8
	2381	# 8. testsuite-specifics.at:3: Specifics - MPQC basis
	2382	at_setup_line='testsuite-specifics.at:3'
	2383	at_fn_banner 2
	2384	at_desc="Specifics - MPQC basis"
	2385	at_desc_line=" 8: $at_desc "
	2386	$at_quiet $as_echo_n "$at_desc_line"
	2387	at_xfail=no
	2388	echo "# -- compilation --" >> "$at_group_log"
	2389	(
	2390	$as_echo "8. testsuite-specifics.at:3: testing ..."
	2391	$at_traceon
	2392
	2393
	2394	{ set +x
	2395	$as_echo "$at_srcdir/testsuite-specifics.at:5: pwd"
	2396	at_fn_check_prepare_trace "testsuite-specifics.at:5"
	2397	( $at_check_trace; pwd
	2398	) >>"$at_stdout" 2>>"$at_stderr"
	2399	at_status=$? at_failed=false
	2400	$at_check_filter
	2401	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	2402	echo stdout:; cat "$at_stdout"
	2403	at_fn_check_skip $at_status "$at_srcdir/testsuite-specifics.at:5"
	2404	$at_failed && at_fn_log_failure
	2405	$at_traceon; }
	2406
	2407	{ set +x
	2408	$as_echo "$at_srcdir/testsuite-specifics.at:6: ../../molecuilder test.conf -v 1 -M test"
	2409	at_fn_check_prepare_trace "testsuite-specifics.at:6"
	2410	( $at_check_trace; ../../molecuilder test.conf -v 1 -M test
	2411	) >>"$at_stdout" 2>>"$at_stderr"
	2412	at_status=$? at_failed=false
	2413	$at_check_filter
	2414	echo stderr:; cat "$at_stderr"
	2415	echo stdout:; tee stdout <"$at_stdout"
	2416	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-specifics.at:6"
	2417	$at_failed && at_fn_log_failure
	2418	$at_traceon; }
	2419
	2420	{ set +x
	2421	$as_echo "$at_srcdir/testsuite-specifics.at:7: fgrep \"Setting MPQC basis to test.\" stdout"
	2422	at_fn_check_prepare_trace "testsuite-specifics.at:7"
	2423	( $at_check_trace; fgrep "Setting MPQC basis to test." stdout
	2424	) >>"$at_stdout" 2>>"$at_stderr"
	2425	at_status=$? at_failed=false
	2426	$at_check_filter
	2427	echo stderr:; cat "$at_stderr"
	2428	echo stdout:; cat "$at_stdout"
	2429	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-specifics.at:7"
	2430	$at_failed && at_fn_log_failure
	2431	$at_traceon; }
	2432
	2433	set +x
	2434	$at_times_p && times >"$at_times_file"
	2435	) 5>&1 2>&1 \| eval $at_tee_pipe
	2436	read at_status <"$at_status_file"
	2437	#AT_STOP_8
	2438	#AT_START_9
	2439	# 9. testsuite-simple_configuration.at:3: Simple configuration - xyz file generation
	2440	at_setup_line='testsuite-simple_configuration.at:3'
	2441	at_fn_banner 3
	2442	at_desc="Simple configuration - xyz file generation"
	2443	at_desc_line=" 9: $at_desc "
	2444	$at_quiet $as_echo_n "$at_desc_line"
	2445	at_xfail=no
	2446	echo "# -- compilation --" >> "$at_group_log"
	2447	(
	2448	$as_echo "9. testsuite-simple_configuration.at:3: testing ..."
	2449	$at_traceon
	2450
	2451
	2452	cat >test.xyz <<'_ATEOF'
	2453	1
	2454	# test configuration, created by molecuilder test suite
	2455	H 10. 10. 10.
	2456	_ATEOF
	2457
	2458	{ set +x
	2459	$as_echo "$at_srcdir/testsuite-simple_configuration.at:9: file=test.xyz; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/1/post/\$file"
	2460	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:9"
	2461	( $at_check_trace; file=test.xyz; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/1/post/$file
	2462	) >>"$at_stdout" 2>>"$at_stderr"
	2463	at_status=$? at_failed=false
	2464	$at_check_filter
	2465	echo stderr:; cat "$at_stderr"
	2466	echo stdout:; cat "$at_stdout"
	2467	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:9"
	2468	$at_failed && at_fn_log_failure
	2469	$at_traceon; }
	2470
	2471	set +x
	2472	$at_times_p && times >"$at_times_file"
	2473	) 5>&1 2>&1 \| eval $at_tee_pipe
	2474	read at_status <"$at_status_file"
	2475	#AT_STOP_9
	2476	#AT_START_10
	2477	# 10. testsuite-simple_configuration.at:13: Simple configuration - parsing xyz file
	2478	at_setup_line='testsuite-simple_configuration.at:13'
	2479	at_fn_banner 3
	2480	at_desc="Simple configuration - parsing xyz file"
	2481	at_desc_line=" 10: $at_desc "
	2482	$at_quiet $as_echo_n "$at_desc_line"
	2483	at_xfail=no
	2484	echo "# -- compilation --" >> "$at_group_log"
	2485	(
	2486	$as_echo "10. testsuite-simple_configuration.at:13: testing ..."
	2487	$at_traceon
	2488
	2489
	2490	{ set +x
	2491	$as_echo "$at_srcdir/testsuite-simple_configuration.at:15: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/2/pre/test.xyz ."
	2492	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:15"
	2493	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/2/pre/test.xyz .
	2494	) >>"$at_stdout" 2>>"$at_stderr"
	2495	at_status=$? at_failed=false
	2496	$at_check_filter
	2497	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	2498	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	2499	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:15"
	2500	$at_failed && at_fn_log_failure
	2501	$at_traceon; }
	2502
	2503	{ set +x
	2504	$as_echo "$at_srcdir/testsuite-simple_configuration.at:16: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -p test.xyz"
	2505	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:16"
	2506	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -p test.xyz
	2507	) >>"$at_stdout" 2>>"$at_stderr"
	2508	at_status=$? at_failed=false
	2509	$at_check_filter
	2510	echo stderr:; cat "$at_stderr"
	2511	echo stdout:; cat "$at_stdout"
	2512	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:16"
	2513	$at_failed && at_fn_log_failure
	2514	$at_traceon; }
	2515
	2516	{ set +x
	2517	$as_echo "$at_srcdir/testsuite-simple_configuration.at:17: fgrep \"Ion_Type1_1\" test.conf"
	2518	at_fn_check_prepare_trace "testsuite-simple_configuration.at:17"
	2519	( $at_check_trace; fgrep "Ion_Type1_1" test.conf
	2520	) >>"$at_stdout" 2>>"$at_stderr"
	2521	at_status=$? at_failed=false
	2522	$at_check_filter
	2523	echo stderr:; cat "$at_stderr"
	2524	echo >>"$at_stdout"; $as_echo "Ion_Type1_1 10.000000000 10.000000000 10.000000000 0 # molecule nr 0
	2525	" \| \
	2526	$at_diff - "$at_stdout" \|\| at_failed=:
	2527	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:17"
	2528	$at_failed && at_fn_log_failure
	2529	$at_traceon; }
	2530
	2531	{ set +x
	2532	$as_echo "$at_srcdir/testsuite-simple_configuration.at:19: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/2/post/\$file"
	2533	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:19"
	2534	( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/2/post/$file
	2535	) >>"$at_stdout" 2>>"$at_stderr"
	2536	at_status=$? at_failed=false
	2537	$at_check_filter
	2538	echo stderr:; cat "$at_stderr"
	2539	echo stdout:; cat "$at_stdout"
	2540	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:19"
	2541	$at_failed && at_fn_log_failure
	2542	$at_traceon; }
	2543
	2544	{ set +x
	2545	$as_echo "$at_srcdir/testsuite-simple_configuration.at:20: file=test.conf.in; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/2/post/\$file"
	2546	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:20"
	2547	( $at_check_trace; file=test.conf.in; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/2/post/$file
	2548	) >>"$at_stdout" 2>>"$at_stderr"
	2549	at_status=$? at_failed=false
	2550	$at_check_filter
	2551	echo stderr:; cat "$at_stderr"
	2552	echo stdout:; cat "$at_stdout"
	2553	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:20"
	2554	$at_failed && at_fn_log_failure
	2555	$at_traceon; }
	2556
	2557	{ set +x
	2558	$as_echo "$at_srcdir/testsuite-simple_configuration.at:21: file=test.conf.xyz; diff -I '.Created by molecuilder.' \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/2/post/\$file"
	2559	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:21"
	2560	( $at_check_trace; file=test.conf.xyz; diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/2/post/$file
	2561	) >>"$at_stdout" 2>>"$at_stderr"
	2562	at_status=$? at_failed=false
	2563	$at_check_filter
	2564	echo stderr:; cat "$at_stderr"
	2565	echo stdout:; cat "$at_stdout"
	2566	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:21"
	2567	$at_failed && at_fn_log_failure
	2568	$at_traceon; }
	2569
	2570	set +x
	2571	$at_times_p && times >"$at_times_file"
	2572	) 5>&1 2>&1 \| eval $at_tee_pipe
	2573	read at_status <"$at_status_file"
	2574	#AT_STOP_10
	2575	#AT_START_11
	2576	# 11. testsuite-simple_configuration.at:25: Simple configuration - adding atom
	2577	at_setup_line='testsuite-simple_configuration.at:25'
	2578	at_fn_banner 3
	2579	at_desc="Simple configuration - adding atom"
	2580	at_desc_line=" 11: $at_desc "
	2581	$at_quiet $as_echo_n "$at_desc_line"
	2582	at_xfail=no
	2583	echo "# -- compilation --" >> "$at_group_log"
	2584	(
	2585	$as_echo "11. testsuite-simple_configuration.at:25: testing ..."
	2586	$at_traceon
	2587
	2588
	2589	{ set +x
	2590	$as_echo "$at_srcdir/testsuite-simple_configuration.at:27: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -a 1 10. 10. 10."
	2591	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:27"
	2592	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -a 1 10. 10. 10.
	2593	) >>"$at_stdout" 2>>"$at_stderr"
	2594	at_status=$? at_failed=false
	2595	$at_check_filter
	2596	echo stderr:; cat "$at_stderr"
	2597	echo stdout:; cat "$at_stdout"
	2598	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:27"
	2599	$at_failed && at_fn_log_failure
	2600	$at_traceon; }
	2601
	2602	{ set +x
	2603	$as_echo "$at_srcdir/testsuite-simple_configuration.at:28: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/3/post/\$file"
	2604	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:28"
	2605	( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/3/post/$file
	2606	) >>"$at_stdout" 2>>"$at_stderr"
	2607	at_status=$? at_failed=false
	2608	$at_check_filter
	2609	echo stderr:; cat "$at_stderr"
	2610	echo stdout:; cat "$at_stdout"
	2611	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:28"
	2612	$at_failed && at_fn_log_failure
	2613	$at_traceon; }
	2614
	2615	{ set +x
	2616	$as_echo "$at_srcdir/testsuite-simple_configuration.at:29: file=test.conf.in; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/3/post/\$file"
	2617	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:29"
	2618	( $at_check_trace; file=test.conf.in; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/3/post/$file
	2619	) >>"$at_stdout" 2>>"$at_stderr"
	2620	at_status=$? at_failed=false
	2621	$at_check_filter
	2622	echo stderr:; cat "$at_stderr"
	2623	echo stdout:; cat "$at_stdout"
	2624	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:29"
	2625	$at_failed && at_fn_log_failure
	2626	$at_traceon; }
	2627
	2628	{ set +x
	2629	$as_echo "$at_srcdir/testsuite-simple_configuration.at:30: file=test.conf.xyz; diff -I '.Created by molecuilder.' \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/3/post/\$file"
	2630	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:30"
	2631	( $at_check_trace; file=test.conf.xyz; diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/3/post/$file
	2632	) >>"$at_stdout" 2>>"$at_stderr"
	2633	at_status=$? at_failed=false
	2634	$at_check_filter
	2635	echo stderr:; cat "$at_stderr"
	2636	echo stdout:; cat "$at_stdout"
	2637	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:30"
	2638	$at_failed && at_fn_log_failure
	2639	$at_traceon; }
	2640
	2641	set +x
	2642	$at_times_p && times >"$at_times_file"
	2643	) 5>&1 2>&1 \| eval $at_tee_pipe
	2644	read at_status <"$at_status_file"
	2645	#AT_STOP_11
	2646	#AT_START_12
	2647	# 12. testsuite-simple_configuration.at:34: Simple configuration - Changing element
	2648	at_setup_line='testsuite-simple_configuration.at:34'
	2649	at_fn_banner 3
	2650	at_desc="Simple configuration - Changing element"
	2651	at_desc_line=" 12: $at_desc "
	2652	$at_quiet $as_echo_n "$at_desc_line"
	2653	at_xfail=no
	2654	echo "# -- compilation --" >> "$at_group_log"
	2655	(
	2656	$as_echo "12. testsuite-simple_configuration.at:34: testing ..."
	2657	$at_traceon
	2658
	2659
	2660	{ set +x
	2661	$as_echo "$at_srcdir/testsuite-simple_configuration.at:36: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/4/pre/test.conf test.conf"
	2662	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:36"
	2663	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/4/pre/test.conf test.conf
	2664	) >>"$at_stdout" 2>>"$at_stderr"
	2665	at_status=$? at_failed=false
	2666	$at_check_filter
	2667	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	2668	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	2669	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:36"
	2670	$at_failed && at_fn_log_failure
	2671	$at_traceon; }
	2672
	2673	{ set +x
	2674	$as_echo "$at_srcdir/testsuite-simple_configuration.at:37: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -E 0 6"
	2675	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:37"
	2676	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -E 0 6
	2677	) >>"$at_stdout" 2>>"$at_stderr"
	2678	at_status=$? at_failed=false
	2679	$at_check_filter
	2680	echo stderr:; cat "$at_stderr"
	2681	echo stdout:; cat "$at_stdout"
	2682	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:37"
	2683	$at_failed && at_fn_log_failure
	2684	$at_traceon; }
	2685
	2686	{ set +x
	2687	$as_echo "$at_srcdir/testsuite-simple_configuration.at:38: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/4/post/\$file"
	2688	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:38"
	2689	( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/4/post/$file
	2690	) >>"$at_stdout" 2>>"$at_stderr"
	2691	at_status=$? at_failed=false
	2692	$at_check_filter
	2693	echo stderr:; cat "$at_stderr"
	2694	echo stdout:; cat "$at_stdout"
	2695	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:38"
	2696	$at_failed && at_fn_log_failure
	2697	$at_traceon; }
	2698
	2699	set +x
	2700	$at_times_p && times >"$at_times_file"
	2701	) 5>&1 2>&1 \| eval $at_tee_pipe
	2702	read at_status <"$at_status_file"
	2703	#AT_STOP_12
	2704	#AT_START_13
	2705	# 13. testsuite-simple_configuration.at:42: Simple configuration - Atom removal
	2706	at_setup_line='testsuite-simple_configuration.at:42'
	2707	at_fn_banner 3
	2708	at_desc="Simple configuration - Atom removal"
	2709	at_desc_line=" 13: $at_desc "
	2710	$at_quiet $as_echo_n "$at_desc_line"
	2711	at_xfail=no
	2712	echo "# -- compilation --" >> "$at_group_log"
	2713	(
	2714	$as_echo "13. testsuite-simple_configuration.at:42: testing ..."
	2715	$at_traceon
	2716
	2717
	2718	{ set +x
	2719	$as_echo "$at_srcdir/testsuite-simple_configuration.at:44: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/5/pre/test.conf ."
	2720	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:44"
	2721	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/5/pre/test.conf .
	2722	) >>"$at_stdout" 2>>"$at_stderr"
	2723	at_status=$? at_failed=false
	2724	$at_check_filter
	2725	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	2726	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	2727	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:44"
	2728	$at_failed && at_fn_log_failure
	2729	$at_traceon; }
	2730
	2731	{ set +x
	2732	$as_echo "$at_srcdir/testsuite-simple_configuration.at:45: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -r 0"
	2733	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:45"
	2734	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -r 0
	2735	) >>"$at_stdout" 2>>"$at_stderr"
	2736	at_status=$? at_failed=false
	2737	$at_check_filter
	2738	echo stderr:; cat "$at_stderr"
	2739	echo stdout:; cat "$at_stdout"
	2740	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:45"
	2741	$at_failed && at_fn_log_failure
	2742	$at_traceon; }
	2743
	2744	{ set +x
	2745	$as_echo "$at_srcdir/testsuite-simple_configuration.at:46: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/5/post/\$file"
	2746	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:46"
	2747	( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/5/post/$file
	2748	) >>"$at_stdout" 2>>"$at_stderr"
	2749	at_status=$? at_failed=false
	2750	$at_check_filter
	2751	echo stderr:; cat "$at_stderr"
	2752	echo stdout:; cat "$at_stdout"
	2753	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:46"
	2754	$at_failed && at_fn_log_failure
	2755	$at_traceon; }
	2756
	2757	{ set +x
	2758	$as_echo "$at_srcdir/testsuite-simple_configuration.at:47: file=test.conf.in; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/5/post/\$file"
	2759	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:47"
	2760	( $at_check_trace; file=test.conf.in; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/5/post/$file
	2761	) >>"$at_stdout" 2>>"$at_stderr"
	2762	at_status=$? at_failed=false
	2763	$at_check_filter
	2764	echo stderr:; cat "$at_stderr"
	2765	echo stdout:; cat "$at_stdout"
	2766	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:47"
	2767	$at_failed && at_fn_log_failure
	2768	$at_traceon; }
	2769
	2770	{ set +x
	2771	$as_echo "$at_srcdir/testsuite-simple_configuration.at:48: file=test.conf.xyz; diff -I '.Created by molecuilder.' \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/5/post/\$file"
	2772	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:48"
	2773	( $at_check_trace; file=test.conf.xyz; diff -I '.Created by molecuilder.' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/5/post/$file
	2774	) >>"$at_stdout" 2>>"$at_stderr"
	2775	at_status=$? at_failed=false
	2776	$at_check_filter
	2777	echo stderr:; cat "$at_stderr"
	2778	echo stdout:; cat "$at_stdout"
	2779	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:48"
	2780	$at_failed && at_fn_log_failure
	2781	$at_traceon; }
	2782
	2783	set +x
	2784	$at_times_p && times >"$at_times_file"
	2785	) 5>&1 2>&1 \| eval $at_tee_pipe
	2786	read at_status <"$at_status_file"
	2787	#AT_STOP_13
	2788	#AT_START_14
	2789	# 14. testsuite-simple_configuration.at:52: Simple configuration - invalid commands on empty configs
	2790	at_setup_line='testsuite-simple_configuration.at:52'
	2791	at_fn_banner 3
	2792	at_desc="Simple configuration - invalid commands on empty configs"
	2793	at_desc_line=" 14: $at_desc"
	2794	$at_quiet $as_echo_n "$at_desc_line"
	2795	at_xfail=no
	2796	echo "# -- compilation --" >> "$at_group_log"
	2797	(
	2798	$as_echo "14. testsuite-simple_configuration.at:52: testing ..."
	2799	$at_traceon
	2800
	2801
	2802	{ set +x
	2803	$as_echo "$at_srcdir/testsuite-simple_configuration.at:54: ../../molecuilder empty.conf -e \${abs_top_srcdir}/src/ -t -s -b -E -c -b -a -U -T -u"
	2804	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:54"
	2805	( $at_check_trace; ../../molecuilder empty.conf -e ${abs_top_srcdir}/src/ -t -s -b -E -c -b -a -U -T -u
	2806	) >>"$at_stdout" 2>>"$at_stderr"
	2807	at_status=$? at_failed=false
	2808	$at_check_filter
	2809	echo stderr:; tee stderr <"$at_stderr"
	2810	echo stdout:; cat "$at_stdout"
	2811	at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:54"
	2812	$at_failed && at_fn_log_failure
	2813	$at_traceon; }
	2814
	2815	{ set +x
	2816	$as_echo "$at_srcdir/testsuite-simple_configuration.at:55: fgrep -c \"Not enough or invalid\" stderr"
	2817	at_fn_check_prepare_trace "testsuite-simple_configuration.at:55"
	2818	( $at_check_trace; fgrep -c "Not enough or invalid" stderr
	2819	) >>"$at_stdout" 2>>"$at_stderr"
	2820	at_status=$? at_failed=false
	2821	$at_check_filter
	2822	echo stderr:; cat "$at_stderr"
	2823	echo >>"$at_stdout"; $as_echo "1
	2824	" \| \
	2825	$at_diff - "$at_stdout" \|\| at_failed=:
	2826	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:55"
	2827	$at_failed && at_fn_log_failure
	2828	$at_traceon; }
	2829
	2830	set +x
	2831	$at_times_p && times >"$at_times_file"
	2832	) 5>&1 2>&1 \| eval $at_tee_pipe
	2833	read at_status <"$at_status_file"
	2834	#AT_STOP_14
	2835	#AT_START_15
	2836	# 15. testsuite-simple_configuration.at:60: Simple configuration - invalid commands on present configs
	2837	at_setup_line='testsuite-simple_configuration.at:60'
	2838	at_fn_banner 3
	2839	at_desc="Simple configuration - invalid commands on present configs"
	2840	at_desc_line=" 15: $at_desc"
	2841	$at_quiet $as_echo_n "$at_desc_line"
	2842	at_xfail=no
	2843	echo "# -- compilation --" >> "$at_group_log"
	2844	(
	2845	$as_echo "15. testsuite-simple_configuration.at:60: testing ..."
	2846	$at_traceon
	2847
	2848
	2849	{ set +x
	2850	$as_echo "$at_srcdir/testsuite-simple_configuration.at:62: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/7/pre/test.conf ."
	2851	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:62"
	2852	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/7/pre/test.conf .
	2853	) >>"$at_stdout" 2>>"$at_stderr"
	2854	at_status=$? at_failed=false
	2855	$at_check_filter
	2856	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	2857	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	2858	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:62"
	2859	$at_failed && at_fn_log_failure
	2860	$at_traceon; }
	2861
	2862	{ set +x
	2863	$as_echo "$at_srcdir/testsuite-simple_configuration.at:63: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -t"
	2864	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:63"
	2865	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -t
	2866	) >>"$at_stdout" 2>>"$at_stderr"
	2867	at_status=$? at_failed=false
	2868	$at_check_filter
	2869	echo stderr:; tee stderr <"$at_stderr"
	2870	echo stdout:; cat "$at_stdout"
	2871	at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:63"
	2872	$at_failed && at_fn_log_failure
	2873	$at_traceon; }
	2874
	2875	{ set +x
	2876	$as_echo "$at_srcdir/testsuite-simple_configuration.at:64: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
	2877	at_fn_check_prepare_trace "testsuite-simple_configuration.at:64"
	2878	( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
	2879	) >>"$at_stdout" 2>>"$at_stderr"
	2880	at_status=$? at_failed=false
	2881	$at_check_filter
	2882	echo stderr:; cat "$at_stderr"
	2883	echo stdout:; cat "$at_stdout"
	2884	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:64"
	2885	$at_failed && at_fn_log_failure
	2886	$at_traceon; }
	2887
	2888	{ set +x
	2889	$as_echo "$at_srcdir/testsuite-simple_configuration.at:65: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -s -b -E -c -b -a -U -T -u"
	2890	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:65"
	2891	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -s -b -E -c -b -a -U -T -u
	2892	) >>"$at_stdout" 2>>"$at_stderr"
	2893	at_status=$? at_failed=false
	2894	$at_check_filter
	2895	echo stderr:; tee stderr <"$at_stderr"
	2896	echo stdout:; cat "$at_stdout"
	2897	at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:65"
	2898	$at_failed && at_fn_log_failure
	2899	$at_traceon; }
	2900
	2901	{ set +x
	2902	$as_echo "$at_srcdir/testsuite-simple_configuration.at:66: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
	2903	at_fn_check_prepare_trace "testsuite-simple_configuration.at:66"
	2904	( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
	2905	) >>"$at_stdout" 2>>"$at_stderr"
	2906	at_status=$? at_failed=false
	2907	$at_check_filter
	2908	echo stderr:; cat "$at_stderr"
	2909	echo stdout:; cat "$at_stdout"
	2910	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:66"
	2911	$at_failed && at_fn_log_failure
	2912	$at_traceon; }
	2913
	2914	{ set +x
	2915	$as_echo "$at_srcdir/testsuite-simple_configuration.at:67: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -b -E -c -b -a -U -T -u"
	2916	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:67"
	2917	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -b -E -c -b -a -U -T -u
	2918	) >>"$at_stdout" 2>>"$at_stderr"
	2919	at_status=$? at_failed=false
	2920	$at_check_filter
	2921	echo stderr:; tee stderr <"$at_stderr"
	2922	echo stdout:; cat "$at_stdout"
	2923	at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:67"
	2924	$at_failed && at_fn_log_failure
	2925	$at_traceon; }
	2926
	2927	{ set +x
	2928	$as_echo "$at_srcdir/testsuite-simple_configuration.at:68: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
	2929	at_fn_check_prepare_trace "testsuite-simple_configuration.at:68"
	2930	( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
	2931	) >>"$at_stdout" 2>>"$at_stderr"
	2932	at_status=$? at_failed=false
	2933	$at_check_filter
	2934	echo stderr:; cat "$at_stderr"
	2935	echo stdout:; cat "$at_stdout"
	2936	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:68"
	2937	$at_failed && at_fn_log_failure
	2938	$at_traceon; }
	2939
	2940	{ set +x
	2941	$as_echo "$at_srcdir/testsuite-simple_configuration.at:69: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -E -c -b -a -U -T -u"
	2942	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:69"
	2943	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -E -c -b -a -U -T -u
	2944	) >>"$at_stdout" 2>>"$at_stderr"
	2945	at_status=$? at_failed=false
	2946	$at_check_filter
	2947	echo stderr:; tee stderr <"$at_stderr"
	2948	echo stdout:; cat "$at_stdout"
	2949	at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:69"
	2950	$at_failed && at_fn_log_failure
	2951	$at_traceon; }
	2952
	2953	{ set +x
	2954	$as_echo "$at_srcdir/testsuite-simple_configuration.at:70: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
	2955	at_fn_check_prepare_trace "testsuite-simple_configuration.at:70"
	2956	( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
	2957	) >>"$at_stdout" 2>>"$at_stderr"
	2958	at_status=$? at_failed=false
	2959	$at_check_filter
	2960	echo stderr:; cat "$at_stderr"
	2961	echo stdout:; cat "$at_stdout"
	2962	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:70"
	2963	$at_failed && at_fn_log_failure
	2964	$at_traceon; }
	2965
	2966	{ set +x
	2967	$as_echo "$at_srcdir/testsuite-simple_configuration.at:71: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -c -b -a -U -T -u"
	2968	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:71"
	2969	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -c -b -a -U -T -u
	2970	) >>"$at_stdout" 2>>"$at_stderr"
	2971	at_status=$? at_failed=false
	2972	$at_check_filter
	2973	echo stderr:; tee stderr <"$at_stderr"
	2974	echo stdout:; cat "$at_stdout"
	2975	at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:71"
	2976	$at_failed && at_fn_log_failure
	2977	$at_traceon; }
	2978
	2979	{ set +x
	2980	$as_echo "$at_srcdir/testsuite-simple_configuration.at:72: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
	2981	at_fn_check_prepare_trace "testsuite-simple_configuration.at:72"
	2982	( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
	2983	) >>"$at_stdout" 2>>"$at_stderr"
	2984	at_status=$? at_failed=false
	2985	$at_check_filter
	2986	echo stderr:; cat "$at_stderr"
	2987	echo stdout:; cat "$at_stdout"
	2988	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:72"
	2989	$at_failed && at_fn_log_failure
	2990	$at_traceon; }
	2991
	2992	{ set +x
	2993	$as_echo "$at_srcdir/testsuite-simple_configuration.at:73: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -b -a -U -T -u"
	2994	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:73"
	2995	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -b -a -U -T -u
	2996	) >>"$at_stdout" 2>>"$at_stderr"
	2997	at_status=$? at_failed=false
	2998	$at_check_filter
	2999	echo stderr:; tee stderr <"$at_stderr"
	3000	echo stdout:; cat "$at_stdout"
	3001	at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:73"
	3002	$at_failed && at_fn_log_failure
	3003	$at_traceon; }
	3004
	3005	{ set +x
	3006	$as_echo "$at_srcdir/testsuite-simple_configuration.at:74: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
	3007	at_fn_check_prepare_trace "testsuite-simple_configuration.at:74"
	3008	( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
	3009	) >>"$at_stdout" 2>>"$at_stderr"
	3010	at_status=$? at_failed=false
	3011	$at_check_filter
	3012	echo stderr:; cat "$at_stderr"
	3013	echo stdout:; cat "$at_stdout"
	3014	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:74"
	3015	$at_failed && at_fn_log_failure
	3016	$at_traceon; }
	3017
	3018	{ set +x
	3019	$as_echo "$at_srcdir/testsuite-simple_configuration.at:75: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -a -U -T -u"
	3020	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:75"
	3021	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -a -U -T -u
	3022	) >>"$at_stdout" 2>>"$at_stderr"
	3023	at_status=$? at_failed=false
	3024	$at_check_filter
	3025	echo stderr:; tee stderr <"$at_stderr"
	3026	echo stdout:; cat "$at_stdout"
	3027	at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:75"
	3028	$at_failed && at_fn_log_failure
	3029	$at_traceon; }
	3030
	3031	{ set +x
	3032	$as_echo "$at_srcdir/testsuite-simple_configuration.at:76: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
	3033	at_fn_check_prepare_trace "testsuite-simple_configuration.at:76"
	3034	( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
	3035	) >>"$at_stdout" 2>>"$at_stderr"
	3036	at_status=$? at_failed=false
	3037	$at_check_filter
	3038	echo stderr:; cat "$at_stderr"
	3039	echo stdout:; cat "$at_stdout"
	3040	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:76"
	3041	$at_failed && at_fn_log_failure
	3042	$at_traceon; }
	3043
	3044	{ set +x
	3045	$as_echo "$at_srcdir/testsuite-simple_configuration.at:77: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -U -T -u"
	3046	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:77"
	3047	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -U -T -u
	3048	) >>"$at_stdout" 2>>"$at_stderr"
	3049	at_status=$? at_failed=false
	3050	$at_check_filter
	3051	echo stderr:; tee stderr <"$at_stderr"
	3052	echo stdout:; cat "$at_stdout"
	3053	at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:77"
	3054	$at_failed && at_fn_log_failure
	3055	$at_traceon; }
	3056
	3057	{ set +x
	3058	$as_echo "$at_srcdir/testsuite-simple_configuration.at:78: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
	3059	at_fn_check_prepare_trace "testsuite-simple_configuration.at:78"
	3060	( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
	3061	) >>"$at_stdout" 2>>"$at_stderr"
	3062	at_status=$? at_failed=false
	3063	$at_check_filter
	3064	echo stderr:; cat "$at_stderr"
	3065	echo stdout:; cat "$at_stdout"
	3066	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:78"
	3067	$at_failed && at_fn_log_failure
	3068	$at_traceon; }
	3069
	3070	{ set +x
	3071	$as_echo "$at_srcdir/testsuite-simple_configuration.at:79: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -T -u"
	3072	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:79"
	3073	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -T -u
	3074	) >>"$at_stdout" 2>>"$at_stderr"
	3075	at_status=$? at_failed=false
	3076	$at_check_filter
	3077	echo stderr:; tee stderr <"$at_stderr"
	3078	echo stdout:; cat "$at_stdout"
	3079	at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:79"
	3080	$at_failed && at_fn_log_failure
	3081	$at_traceon; }
	3082
	3083	{ set +x
	3084	$as_echo "$at_srcdir/testsuite-simple_configuration.at:80: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
	3085	at_fn_check_prepare_trace "testsuite-simple_configuration.at:80"
	3086	( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
	3087	) >>"$at_stdout" 2>>"$at_stderr"
	3088	at_status=$? at_failed=false
	3089	$at_check_filter
	3090	echo stderr:; cat "$at_stderr"
	3091	echo stdout:; cat "$at_stdout"
	3092	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:80"
	3093	$at_failed && at_fn_log_failure
	3094	$at_traceon; }
	3095
	3096	{ set +x
	3097	$as_echo "$at_srcdir/testsuite-simple_configuration.at:81: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -u"
	3098	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:81"
	3099	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -u
	3100	) >>"$at_stdout" 2>>"$at_stderr"
	3101	at_status=$? at_failed=false
	3102	$at_check_filter
	3103	echo stderr:; tee stderr <"$at_stderr"
	3104	echo stdout:; cat "$at_stdout"
	3105	at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:81"
	3106	$at_failed && at_fn_log_failure
	3107	$at_traceon; }
	3108
	3109	{ set +x
	3110	$as_echo "$at_srcdir/testsuite-simple_configuration.at:82: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
	3111	at_fn_check_prepare_trace "testsuite-simple_configuration.at:82"
	3112	( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
	3113	) >>"$at_stdout" 2>>"$at_stderr"
	3114	at_status=$? at_failed=false
	3115	$at_check_filter
	3116	echo stderr:; cat "$at_stderr"
	3117	echo stdout:; cat "$at_stdout"
	3118	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:82"
	3119	$at_failed && at_fn_log_failure
	3120	$at_traceon; }
	3121
	3122	set +x
	3123	$at_times_p && times >"$at_times_file"
	3124	) 5>&1 2>&1 \| eval $at_tee_pipe
	3125	read at_status <"$at_status_file"
	3126	#AT_STOP_15
	3127	#AT_START_16
	3128	# 16. testsuite-simple_configuration.at:86: Simple configuration - BROKEN: Removing sphere of atoms
	3129	at_setup_line='testsuite-simple_configuration.at:86'
	3130	at_fn_banner 3
	3131	at_desc="Simple configuration - BROKEN: Removing sphere of atoms"
	3132	at_desc_line=" 16: $at_desc"
	3133	$at_quiet $as_echo_n "$at_desc_line"
	3134	at_xfail=no
	3135	echo "# -- compilation --" >> "$at_group_log"
	3136	(
	3137	$as_echo "16. testsuite-simple_configuration.at:86: testing ..."
	3138	$at_traceon
	3139
	3140
	3141	{ set +x
	3142	$as_echo "$at_srcdir/testsuite-simple_configuration.at:88: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/8/pre/test.* ."
	3143	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:88"
	3144	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/8/pre/test.* .
	3145	) >>"$at_stdout" 2>>"$at_stderr"
	3146	at_status=$? at_failed=false
	3147	$at_check_filter
	3148	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3149	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3150	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:88"
	3151	$at_failed && at_fn_log_failure
	3152	$at_traceon; }
	3153
	3154	{ set +x
	3155	$as_echo "$at_srcdir/testsuite-simple_configuration.at:89: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -R 2 7."
	3156	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:89"
	3157	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -R 2 7.
	3158	) >>"$at_stdout" 2>>"$at_stderr"
	3159	at_status=$? at_failed=false
	3160	$at_check_filter
	3161	echo stderr:; tee stderr <"$at_stderr"
	3162	echo stdout:; tee stdout <"$at_stdout"
	3163	at_fn_check_status 134 $at_status "$at_srcdir/testsuite-simple_configuration.at:89"
	3164	$at_failed && at_fn_log_failure
	3165	$at_traceon; }
	3166
	3167	{ set +x
	3168	$as_echo "$at_srcdir/testsuite-simple_configuration.at:90: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/8/post/\$file"
	3169	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:90"
	3170	( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/8/post/$file
	3171	) >>"$at_stdout" 2>>"$at_stderr"
	3172	at_status=$? at_failed=false
	3173	$at_check_filter
	3174	echo stderr:; cat "$at_stderr"
	3175	echo stdout:; cat "$at_stdout"
	3176	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:90"
	3177	$at_failed && at_fn_log_failure
	3178	$at_traceon; }
	3179
	3180	set +x
	3181	$at_times_p && times >"$at_times_file"
	3182	) 5>&1 2>&1 \| eval $at_tee_pipe
	3183	read at_status <"$at_status_file"
	3184	#AT_STOP_16
	3185	#AT_START_17
	3186	# 17. testsuite-domain.at:3: Domain - defining simulation domain
	3187	at_setup_line='testsuite-domain.at:3'
	3188	at_fn_banner 4
	3189	at_desc="Domain - defining simulation domain"
	3190	at_desc_line=" 17: $at_desc "
	3191	$at_quiet $as_echo_n "$at_desc_line"
	3192	at_xfail=no
	3193	echo "# -- compilation --" >> "$at_group_log"
	3194	(
	3195	$as_echo "17. testsuite-domain.at:3: testing ..."
	3196	$at_traceon
	3197
	3198
	3199	{ set +x
	3200	$as_echo "$at_srcdir/testsuite-domain.at:5: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -B 10 0 10 0 0 10"
	3201	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:5"
	3202	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -B 10 0 10 0 0 10
	3203	) >>"$at_stdout" 2>>"$at_stderr"
	3204	at_status=$? at_failed=false
	3205	$at_check_filter
	3206	echo stderr:; tee stderr <"$at_stderr"
	3207	echo stdout:; tee stdout <"$at_stdout"
	3208	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:5"
	3209	$at_failed && at_fn_log_failure
	3210	$at_traceon; }
	3211
	3212	{ set +x
	3213	$as_echo "$at_srcdir/testsuite-domain.at:6: fgrep \"BoxLength\" test.conf"
	3214	at_fn_check_prepare_trace "testsuite-domain.at:6"
	3215	( $at_check_trace; fgrep "BoxLength" test.conf
	3216	) >>"$at_stdout" 2>>"$at_stderr"
	3217	at_status=$? at_failed=false
	3218	$at_check_filter
	3219	echo stderr:; tee stderr <"$at_stderr"
	3220	echo stdout:; tee stdout <"$at_stdout"
	3221	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:6"
	3222	$at_failed && at_fn_log_failure
	3223	$at_traceon; }
	3224
	3225	{ set +x
	3226	$as_echo "$at_srcdir/testsuite-domain.at:7: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/1/post/test.conf"
	3227	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:7"
	3228	( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/1/post/test.conf
	3229	) >>"$at_stdout" 2>>"$at_stderr"
	3230	at_status=$? at_failed=false
	3231	$at_check_filter
	3232	echo stderr:; tee stderr <"$at_stderr"
	3233	echo stdout:; tee stdout <"$at_stdout"
	3234	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:7"
	3235	$at_failed && at_fn_log_failure
	3236	$at_traceon; }
	3237
	3238	set +x
	3239	$at_times_p && times >"$at_times_file"
	3240	) 5>&1 2>&1 \| eval $at_tee_pipe
	3241	read at_status <"$at_status_file"
	3242	#AT_STOP_17
	3243	#AT_START_18
	3244	# 18. testsuite-domain.at:11: Domain - setting and centering in domain
	3245	at_setup_line='testsuite-domain.at:11'
	3246	at_fn_banner 4
	3247	at_desc="Domain - setting and centering in domain"
	3248	at_desc_line=" 18: $at_desc "
	3249	$at_quiet $as_echo_n "$at_desc_line"
	3250	at_xfail=no
	3251	echo "# -- compilation --" >> "$at_group_log"
	3252	(
	3253	$as_echo "18. testsuite-domain.at:11: testing ..."
	3254	$at_traceon
	3255
	3256
	3257	{ set +x
	3258	$as_echo "$at_srcdir/testsuite-domain.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/2/pre/test.conf ."
	3259	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:13"
	3260	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/2/pre/test.conf .
	3261	) >>"$at_stdout" 2>>"$at_stderr"
	3262	at_status=$? at_failed=false
	3263	$at_check_filter
	3264	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3265	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3266	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:13"
	3267	$at_failed && at_fn_log_failure
	3268	$at_traceon; }
	3269
	3270	{ set +x
	3271	$as_echo "$at_srcdir/testsuite-domain.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -b 15 0 15 0 0 15"
	3272	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:14"
	3273	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -b 15 0 15 0 0 15
	3274	) >>"$at_stdout" 2>>"$at_stderr"
	3275	at_status=$? at_failed=false
	3276	$at_check_filter
	3277	echo stderr:; tee stderr <"$at_stderr"
	3278	echo stdout:; tee stdout <"$at_stdout"
	3279	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:14"
	3280	$at_failed && at_fn_log_failure
	3281	$at_traceon; }
	3282
	3283	{ set +x
	3284	$as_echo "$at_srcdir/testsuite-domain.at:15: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/2/post/test.conf"
	3285	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:15"
	3286	( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/2/post/test.conf
	3287	) >>"$at_stdout" 2>>"$at_stderr"
	3288	at_status=$? at_failed=false
	3289	$at_check_filter
	3290	echo stderr:; tee stderr <"$at_stderr"
	3291	echo stdout:; tee stdout <"$at_stdout"
	3292	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:15"
	3293	$at_failed && at_fn_log_failure
	3294	$at_traceon; }
	3295
	3296	set +x
	3297	$at_times_p && times >"$at_times_file"
	3298	) 5>&1 2>&1 \| eval $at_tee_pipe
	3299	read at_status <"$at_status_file"
	3300	#AT_STOP_18
	3301	#AT_START_19
	3302	# 19. testsuite-domain.at:19: Domain - centering with defined boundary
	3303	at_setup_line='testsuite-domain.at:19'
	3304	at_fn_banner 4
	3305	at_desc="Domain - centering with defined boundary"
	3306	at_desc_line=" 19: $at_desc "
	3307	$at_quiet $as_echo_n "$at_desc_line"
	3308	at_xfail=no
	3309	echo "# -- compilation --" >> "$at_group_log"
	3310	(
	3311	$as_echo "19. testsuite-domain.at:19: testing ..."
	3312	$at_traceon
	3313
	3314
	3315	{ set +x
	3316	$as_echo "$at_srcdir/testsuite-domain.at:21: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/3/pre/test.conf ."
	3317	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:21"
	3318	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/3/pre/test.conf .
	3319	) >>"$at_stdout" 2>>"$at_stderr"
	3320	at_status=$? at_failed=false
	3321	$at_check_filter
	3322	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3323	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3324	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:21"
	3325	$at_failed && at_fn_log_failure
	3326	$at_traceon; }
	3327
	3328	{ set +x
	3329	$as_echo "$at_srcdir/testsuite-domain.at:22: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -c 5 10 15"
	3330	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:22"
	3331	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -c 5 10 15
	3332	) >>"$at_stdout" 2>>"$at_stderr"
	3333	at_status=$? at_failed=false
	3334	$at_check_filter
	3335	echo stderr:; tee stderr <"$at_stderr"
	3336	echo stdout:; tee stdout <"$at_stdout"
	3337	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:22"
	3338	$at_failed && at_fn_log_failure
	3339	$at_traceon; }
	3340
	3341	{ set +x
	3342	$as_echo "$at_srcdir/testsuite-domain.at:23: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/3/post/test.conf"
	3343	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:23"
	3344	( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/3/post/test.conf
	3345	) >>"$at_stdout" 2>>"$at_stderr"
	3346	at_status=$? at_failed=false
	3347	$at_check_filter
	3348	echo stderr:; tee stderr <"$at_stderr"
	3349	echo stdout:; tee stdout <"$at_stdout"
	3350	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:23"
	3351	$at_failed && at_fn_log_failure
	3352	$at_traceon; }
	3353
	3354	set +x
	3355	$at_times_p && times >"$at_times_file"
	3356	) 5>&1 2>&1 \| eval $at_tee_pipe
	3357	read at_status <"$at_status_file"
	3358	#AT_STOP_19
	3359	#AT_START_20
	3360	# 20. testsuite-domain.at:27: Domain - centering and setting domain
	3361	at_setup_line='testsuite-domain.at:27'
	3362	at_fn_banner 4
	3363	at_desc="Domain - centering and setting domain"
	3364	at_desc_line=" 20: $at_desc "
	3365	$at_quiet $as_echo_n "$at_desc_line"
	3366	at_xfail=no
	3367	echo "# -- compilation --" >> "$at_group_log"
	3368	(
	3369	$as_echo "20. testsuite-domain.at:27: testing ..."
	3370	$at_traceon
	3371
	3372
	3373	{ set +x
	3374	$as_echo "$at_srcdir/testsuite-domain.at:29: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/4/pre/test.conf ."
	3375	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:29"
	3376	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/4/pre/test.conf .
	3377	) >>"$at_stdout" 2>>"$at_stderr"
	3378	at_status=$? at_failed=false
	3379	$at_check_filter
	3380	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3381	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3382	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:29"
	3383	$at_failed && at_fn_log_failure
	3384	$at_traceon; }
	3385
	3386	{ set +x
	3387	$as_echo "$at_srcdir/testsuite-domain.at:30: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -O"
	3388	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:30"
	3389	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -O
	3390	) >>"$at_stdout" 2>>"$at_stderr"
	3391	at_status=$? at_failed=false
	3392	$at_check_filter
	3393	echo stderr:; tee stderr <"$at_stderr"
	3394	echo stdout:; tee stdout <"$at_stdout"
	3395	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:30"
	3396	$at_failed && at_fn_log_failure
	3397	$at_traceon; }
	3398
	3399	{ set +x
	3400	$as_echo "$at_srcdir/testsuite-domain.at:31: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/4/post/test.conf"
	3401	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:31"
	3402	( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/4/post/test.conf
	3403	) >>"$at_stdout" 2>>"$at_stderr"
	3404	at_status=$? at_failed=false
	3405	$at_check_filter
	3406	echo stderr:; tee stderr <"$at_stderr"
	3407	echo stdout:; tee stdout <"$at_stdout"
	3408	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:31"
	3409	$at_failed && at_fn_log_failure
	3410	$at_traceon; }
	3411
	3412	set +x
	3413	$at_times_p && times >"$at_times_file"
	3414	) 5>&1 2>&1 \| eval $at_tee_pipe
	3415	read at_status <"$at_status_file"
	3416	#AT_STOP_20
	3417	#AT_START_21
	3418	# 21. testsuite-domain.at:35: Domain - scaling box
	3419	at_setup_line='testsuite-domain.at:35'
	3420	at_fn_banner 4
	3421	at_desc="Domain - scaling box"
	3422	at_desc_line=" 21: $at_desc "
	3423	$at_quiet $as_echo_n "$at_desc_line"
	3424	at_xfail=no
	3425	echo "# -- compilation --" >> "$at_group_log"
	3426	(
	3427	$as_echo "21. testsuite-domain.at:35: testing ..."
	3428	$at_traceon
	3429
	3430
	3431	{ set +x
	3432	$as_echo "$at_srcdir/testsuite-domain.at:37: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/5/pre/test.conf ."
	3433	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:37"
	3434	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/5/pre/test.conf .
	3435	) >>"$at_stdout" 2>>"$at_stderr"
	3436	at_status=$? at_failed=false
	3437	$at_check_filter
	3438	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3439	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3440	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:37"
	3441	$at_failed && at_fn_log_failure
	3442	$at_traceon; }
	3443
	3444	{ set +x
	3445	$as_echo "$at_srcdir/testsuite-domain.at:38: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -s 0.5 1. 0.9"
	3446	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:38"
	3447	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -s 0.5 1. 0.9
	3448	) >>"$at_stdout" 2>>"$at_stderr"
	3449	at_status=$? at_failed=false
	3450	$at_check_filter
	3451	echo stderr:; tee stderr <"$at_stderr"
	3452	echo stdout:; tee stdout <"$at_stdout"
	3453	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:38"
	3454	$at_failed && at_fn_log_failure
	3455	$at_traceon; }
	3456
	3457	{ set +x
	3458	$as_echo "$at_srcdir/testsuite-domain.at:39: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/5/post/test.conf"
	3459	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:39"
	3460	( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/5/post/test.conf
	3461	) >>"$at_stdout" 2>>"$at_stderr"
	3462	at_status=$? at_failed=false
	3463	$at_check_filter
	3464	echo stderr:; tee stderr <"$at_stderr"
	3465	echo stdout:; tee stdout <"$at_stdout"
	3466	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:39"
	3467	$at_failed && at_fn_log_failure
	3468	$at_traceon; }
	3469
	3470	set +x
	3471	$at_times_p && times >"$at_times_file"
	3472	) 5>&1 2>&1 \| eval $at_tee_pipe
	3473	read at_status <"$at_status_file"
	3474	#AT_STOP_21
	3475	#AT_START_22
	3476	# 22. testsuite-domain.at:43: Domain - duplicating box
	3477	at_setup_line='testsuite-domain.at:43'
	3478	at_fn_banner 4
	3479	at_desc="Domain - duplicating box"
	3480	at_desc_line=" 22: $at_desc "
	3481	$at_quiet $as_echo_n "$at_desc_line"
	3482	at_xfail=no
	3483	echo "# -- compilation --" >> "$at_group_log"
	3484	(
	3485	$as_echo "22. testsuite-domain.at:43: testing ..."
	3486	$at_traceon
	3487
	3488
	3489	{ set +x
	3490	$as_echo "$at_srcdir/testsuite-domain.at:45: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/pre/test.conf ."
	3491	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:45"
	3492	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/pre/test.conf .
	3493	) >>"$at_stdout" 2>>"$at_stderr"
	3494	at_status=$? at_failed=false
	3495	$at_check_filter
	3496	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3497	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3498	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:45"
	3499	$at_failed && at_fn_log_failure
	3500	$at_traceon; }
	3501
	3502	{ set +x
	3503	$as_echo "$at_srcdir/testsuite-domain.at:46: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -d 1 1 1"
	3504	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:46"
	3505	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -d 1 1 1
	3506	) >>"$at_stdout" 2>>"$at_stderr"
	3507	at_status=$? at_failed=false
	3508	$at_check_filter
	3509	echo stderr:; tee stderr <"$at_stderr"
	3510	echo stdout:; tee stdout <"$at_stdout"
	3511	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:46"
	3512	$at_failed && at_fn_log_failure
	3513	$at_traceon; }
	3514
	3515	{ set +x
	3516	$as_echo "$at_srcdir/testsuite-domain.at:47: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/post/test.conf"
	3517	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:47"
	3518	( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/post/test.conf
	3519	) >>"$at_stdout" 2>>"$at_stderr"
	3520	at_status=$? at_failed=false
	3521	$at_check_filter
	3522	echo stderr:; tee stderr <"$at_stderr"
	3523	echo stdout:; tee stdout <"$at_stdout"
	3524	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:47"
	3525	$at_failed && at_fn_log_failure
	3526	$at_traceon; }
	3527
	3528	{ set +x
	3529	$as_echo "$at_srcdir/testsuite-domain.at:48: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/pre/test.conf ."
	3530	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:48"
	3531	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/pre/test.conf .
	3532	) >>"$at_stdout" 2>>"$at_stderr"
	3533	at_status=$? at_failed=false
	3534	$at_check_filter
	3535	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3536	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3537	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:48"
	3538	$at_failed && at_fn_log_failure
	3539	$at_traceon; }
	3540
	3541	{ set +x
	3542	$as_echo "$at_srcdir/testsuite-domain.at:49: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -d 2 1 1"
	3543	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:49"
	3544	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -d 2 1 1
	3545	) >>"$at_stdout" 2>>"$at_stderr"
	3546	at_status=$? at_failed=false
	3547	$at_check_filter
	3548	echo stderr:; tee stderr <"$at_stderr"
	3549	echo stdout:; tee stdout <"$at_stdout"
	3550	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:49"
	3551	$at_failed && at_fn_log_failure
	3552	$at_traceon; }
	3553
	3554	{ set +x
	3555	$as_echo "$at_srcdir/testsuite-domain.at:50: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/post/test-x.conf"
	3556	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:50"
	3557	( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/post/test-x.conf
	3558	) >>"$at_stdout" 2>>"$at_stderr"
	3559	at_status=$? at_failed=false
	3560	$at_check_filter
	3561	echo stderr:; tee stderr <"$at_stderr"
	3562	echo stdout:; tee stdout <"$at_stdout"
	3563	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:50"
	3564	$at_failed && at_fn_log_failure
	3565	$at_traceon; }
	3566
	3567	{ set +x
	3568	$as_echo "$at_srcdir/testsuite-domain.at:51: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/pre/test.conf ."
	3569	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:51"
	3570	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/pre/test.conf .
	3571	) >>"$at_stdout" 2>>"$at_stderr"
	3572	at_status=$? at_failed=false
	3573	$at_check_filter
	3574	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3575	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3576	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:51"
	3577	$at_failed && at_fn_log_failure
	3578	$at_traceon; }
	3579
	3580	{ set +x
	3581	$as_echo "$at_srcdir/testsuite-domain.at:52: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -d 1 2 1"
	3582	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:52"
	3583	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -d 1 2 1
	3584	) >>"$at_stdout" 2>>"$at_stderr"
	3585	at_status=$? at_failed=false
	3586	$at_check_filter
	3587	echo stderr:; tee stderr <"$at_stderr"
	3588	echo stdout:; tee stdout <"$at_stdout"
	3589	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:52"
	3590	$at_failed && at_fn_log_failure
	3591	$at_traceon; }
	3592
	3593	{ set +x
	3594	$as_echo "$at_srcdir/testsuite-domain.at:53: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/post/test-y.conf"
	3595	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:53"
	3596	( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/post/test-y.conf
	3597	) >>"$at_stdout" 2>>"$at_stderr"
	3598	at_status=$? at_failed=false
	3599	$at_check_filter
	3600	echo stderr:; tee stderr <"$at_stderr"
	3601	echo stdout:; tee stdout <"$at_stdout"
	3602	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:53"
	3603	$at_failed && at_fn_log_failure
	3604	$at_traceon; }
	3605
	3606	{ set +x
	3607	$as_echo "$at_srcdir/testsuite-domain.at:54: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/pre/test.conf ."
	3608	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:54"
	3609	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/pre/test.conf .
	3610	) >>"$at_stdout" 2>>"$at_stderr"
	3611	at_status=$? at_failed=false
	3612	$at_check_filter
	3613	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3614	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3615	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:54"
	3616	$at_failed && at_fn_log_failure
	3617	$at_traceon; }
	3618
	3619	{ set +x
	3620	$as_echo "$at_srcdir/testsuite-domain.at:55: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -d 1 1 2"
	3621	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:55"
	3622	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -d 1 1 2
	3623	) >>"$at_stdout" 2>>"$at_stderr"
	3624	at_status=$? at_failed=false
	3625	$at_check_filter
	3626	echo stderr:; tee stderr <"$at_stderr"
	3627	echo stdout:; tee stdout <"$at_stdout"
	3628	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:55"
	3629	$at_failed && at_fn_log_failure
	3630	$at_traceon; }
	3631
	3632	{ set +x
	3633	$as_echo "$at_srcdir/testsuite-domain.at:56: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/post/test-z.conf"
	3634	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:56"
	3635	( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/post/test-z.conf
	3636	) >>"$at_stdout" 2>>"$at_stderr"
	3637	at_status=$? at_failed=false
	3638	$at_check_filter
	3639	echo stderr:; tee stderr <"$at_stderr"
	3640	echo stdout:; tee stdout <"$at_stdout"
	3641	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:56"
	3642	$at_failed && at_fn_log_failure
	3643	$at_traceon; }
	3644
	3645	set +x
	3646	$at_times_p && times >"$at_times_file"
	3647	) 5>&1 2>&1 \| eval $at_tee_pipe
	3648	read at_status <"$at_status_file"
	3649	#AT_STOP_22
	3650	#AT_START_23
	3651	# 23. testsuite-graph.at:3: Graph - DFS analysis
	3652	at_setup_line='testsuite-graph.at:3'
	3653	at_fn_banner 5
	3654	at_desc="Graph - DFS analysis"
	3655	at_desc_line=" 23: $at_desc "
	3656	$at_quiet $as_echo_n "$at_desc_line"
	3657	at_xfail=no
	3658	echo "# -- compilation --" >> "$at_group_log"
	3659	(
	3660	$as_echo "23. testsuite-graph.at:3: testing ..."
	3661	$at_traceon
	3662
	3663
	3664	{ set +x
	3665	$as_echo "$at_srcdir/testsuite-graph.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Graph/1/pre/test.conf ."
	3666	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-graph.at:5"
	3667	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Graph/1/pre/test.conf .
	3668	) >>"$at_stdout" 2>>"$at_stderr"
	3669	at_status=$? at_failed=false
	3670	$at_check_filter
	3671	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3672	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3673	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:5"
	3674	$at_failed && at_fn_log_failure
	3675	$at_traceon; }
	3676
	3677	{ set +x
	3678	$as_echo "$at_srcdir/testsuite-graph.at:6: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -D 2."
	3679	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-graph.at:6"
	3680	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -D 2.
	3681	) >>"$at_stdout" 2>>"$at_stderr"
	3682	at_status=$? at_failed=false
	3683	$at_check_filter
	3684	echo stderr:; tee stderr <"$at_stderr"
	3685	echo stdout:; tee stdout <"$at_stdout"
	3686	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:6"
	3687	$at_failed && at_fn_log_failure
	3688	$at_traceon; }
	3689
	3690	{ set +x
	3691	$as_echo "$at_srcdir/testsuite-graph.at:7: fgrep -c \"No rings were detected in the molecular structure.\" stdout"
	3692	at_fn_check_prepare_trace "testsuite-graph.at:7"
	3693	( $at_check_trace; fgrep -c "No rings were detected in the molecular structure." stdout
	3694	) >>"$at_stdout" 2>>"$at_stderr"
	3695	at_status=$? at_failed=false
	3696	$at_check_filter
	3697	echo stderr:; cat "$at_stderr"
	3698	echo >>"$at_stdout"; $as_echo "1
	3699	" \| \
	3700	$at_diff - "$at_stdout" \|\| at_failed=:
	3701	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:7"
	3702	$at_failed && at_fn_log_failure
	3703	$at_traceon; }
	3704
	3705	set +x
	3706	$at_times_p && times >"$at_times_file"
	3707	) 5>&1 2>&1 \| eval $at_tee_pipe
	3708	read at_status <"$at_status_file"
	3709	#AT_STOP_23
	3710	#AT_START_24
	3711	# 24. testsuite-graph.at:11: Graph - subgraph dissection
	3712	at_setup_line='testsuite-graph.at:11'
	3713	at_fn_banner 5
	3714	at_desc="Graph - subgraph dissection"
	3715	at_desc_line=" 24: $at_desc "
	3716	$at_quiet $as_echo_n "$at_desc_line"
	3717	at_xfail=no
	3718	echo "# -- compilation --" >> "$at_group_log"
	3719	(
	3720	$as_echo "24. testsuite-graph.at:11: testing ..."
	3721	$at_traceon
	3722
	3723
	3724	{ set +x
	3725	$as_echo "$at_srcdir/testsuite-graph.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Graph/2/pre/test.conf ."
	3726	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-graph.at:13"
	3727	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Graph/2/pre/test.conf .
	3728	) >>"$at_stdout" 2>>"$at_stderr"
	3729	at_status=$? at_failed=false
	3730	$at_check_filter
	3731	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3732	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3733	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:13"
	3734	$at_failed && at_fn_log_failure
	3735	$at_traceon; }
	3736
	3737	{ set +x
	3738	$as_echo "$at_srcdir/testsuite-graph.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -I"
	3739	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-graph.at:14"
	3740	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -I
	3741	) >>"$at_stdout" 2>>"$at_stderr"
	3742	at_status=$? at_failed=false
	3743	$at_check_filter
	3744	echo stderr:; tee stderr <"$at_stderr"
	3745	echo stdout:; tee stdout <"$at_stdout"
	3746	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:14"
	3747	$at_failed && at_fn_log_failure
	3748	$at_traceon; }
	3749
	3750	{ set +x
	3751	$as_echo "$at_srcdir/testsuite-graph.at:15: fgrep \"I scanned 31 molecules.\" stdout"
	3752	at_fn_check_prepare_trace "testsuite-graph.at:15"
	3753	( $at_check_trace; fgrep "I scanned 31 molecules." stdout
	3754	) >>"$at_stdout" 2>>"$at_stderr"
	3755	at_status=$? at_failed=false
	3756	$at_check_filter
	3757	echo stderr:; cat "$at_stderr"
	3758	echo stdout:; cat "$at_stdout"
	3759	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:15"
	3760	$at_failed && at_fn_log_failure
	3761	$at_traceon; }
	3762
	3763	set +x
	3764	$at_times_p && times >"$at_times_file"
	3765	) 5>&1 2>&1 \| eval $at_tee_pipe
	3766	read at_status <"$at_status_file"
	3767	#AT_STOP_24
	3768	#AT_START_25
	3769	# 25. testsuite-molecules.at:3: Molecules - Bonds from file
	3770	at_setup_line='testsuite-molecules.at:3'
	3771	at_fn_banner 6
	3772	at_desc="Molecules - Bonds from file"
	3773	at_desc_line=" 25: $at_desc "
	3774	$at_quiet $as_echo_n "$at_desc_line"
	3775	at_xfail=no
	3776	echo "# -- compilation --" >> "$at_group_log"
	3777	(
	3778	$as_echo "25. testsuite-molecules.at:3: testing ..."
	3779	$at_traceon
	3780
	3781
	3782	{ set +x
	3783	$as_echo "$at_srcdir/testsuite-molecules.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/1/pre/test.* ."
	3784	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:5"
	3785	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/1/pre/test.* .
	3786	) >>"$at_stdout" 2>>"$at_stderr"
	3787	at_status=$? at_failed=false
	3788	$at_check_filter
	3789	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3790	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3791	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:5"
	3792	$at_failed && at_fn_log_failure
	3793	$at_traceon; }
	3794
	3795	{ set +x
	3796	$as_echo "$at_srcdir/testsuite-molecules.at:6: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 4 -A test.dbond"
	3797	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:6"
	3798	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 4 -A test.dbond
	3799	) >>"$at_stdout" 2>>"$at_stderr"
	3800	at_status=$? at_failed=false
	3801	$at_check_filter
	3802	echo stderr:; tee stderr <"$at_stderr"
	3803	echo stdout:; tee stdout <"$at_stdout"
	3804	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:6"
	3805	$at_failed && at_fn_log_failure
	3806	$at_traceon; }
	3807
	3808	{ set +x
	3809	$as_echo "$at_srcdir/testsuite-molecules.at:7: fgrep \"Looking for atoms 2 and 9.\" stdout"
	3810	at_fn_check_prepare_trace "testsuite-molecules.at:7"
	3811	( $at_check_trace; fgrep "Looking for atoms 2 and 9." stdout
	3812	) >>"$at_stdout" 2>>"$at_stderr"
	3813	at_status=$? at_failed=false
	3814	$at_check_filter
	3815	echo stderr:; cat "$at_stderr"
	3816	echo stdout:; cat "$at_stdout"
	3817	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:7"
	3818	$at_failed && at_fn_log_failure
	3819	$at_traceon; }
	3820
	3821	set +x
	3822	$at_times_p && times >"$at_times_file"
	3823	) 5>&1 2>&1 \| eval $at_tee_pipe
	3824	read at_status <"$at_status_file"
	3825	#AT_STOP_25
	3826	#AT_START_26
	3827	# 26. testsuite-molecules.at:11: Molecules - Storing bond info
	3828	at_setup_line='testsuite-molecules.at:11'
	3829	at_fn_banner 6
	3830	at_desc="Molecules - Storing bond info"
	3831	at_desc_line=" 26: $at_desc "
	3832	$at_quiet $as_echo_n "$at_desc_line"
	3833	at_xfail=no
	3834	echo "# -- compilation --" >> "$at_group_log"
	3835	(
	3836	$as_echo "26. testsuite-molecules.at:11: testing ..."
	3837	$at_traceon
	3838
	3839
	3840	{ set +x
	3841	$as_echo "$at_srcdir/testsuite-molecules.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/2/pre/test.conf ."
	3842	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:13"
	3843	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/2/pre/test.conf .
	3844	) >>"$at_stdout" 2>>"$at_stderr"
	3845	at_status=$? at_failed=false
	3846	$at_check_filter
	3847	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3848	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3849	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:13"
	3850	$at_failed && at_fn_log_failure
	3851	$at_traceon; }
	3852
	3853	{ set +x
	3854	$as_echo "$at_srcdir/testsuite-molecules.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 1 -j test.dbond"
	3855	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:14"
	3856	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 1 -j test.dbond
	3857	) >>"$at_stdout" 2>>"$at_stderr"
	3858	at_status=$? at_failed=false
	3859	$at_check_filter
	3860	echo stderr:; tee stderr <"$at_stderr"
	3861	echo stdout:; tee stdout <"$at_stdout"
	3862	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:14"
	3863	$at_failed && at_fn_log_failure
	3864	$at_traceon; }
	3865
	3866	{ set +x
	3867	$as_echo "$at_srcdir/testsuite-molecules.at:15: file=test.dbond; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/2/post/\$file"
	3868	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:15"
	3869	( $at_check_trace; file=test.dbond; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/2/post/$file
	3870	) >>"$at_stdout" 2>>"$at_stderr"
	3871	at_status=$? at_failed=false
	3872	$at_check_filter
	3873	echo stderr:; cat "$at_stderr"
	3874	echo stdout:; cat "$at_stdout"
	3875	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:15"
	3876	$at_failed && at_fn_log_failure
	3877	$at_traceon; }
	3878
	3879	{ set +x
	3880	$as_echo "$at_srcdir/testsuite-molecules.at:16: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 1 -J test.adj"
	3881	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:16"
	3882	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 1 -J test.adj
	3883	) >>"$at_stdout" 2>>"$at_stderr"
	3884	at_status=$? at_failed=false
	3885	$at_check_filter
	3886	echo stderr:; tee stderr <"$at_stderr"
	3887	echo stdout:; tee stdout <"$at_stdout"
	3888	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:16"
	3889	$at_failed && at_fn_log_failure
	3890	$at_traceon; }
	3891
	3892	{ set +x
	3893	$as_echo "$at_srcdir/testsuite-molecules.at:17: file=test.adj; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/2/post/\$file"
	3894	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:17"
	3895	( $at_check_trace; file=test.adj; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/2/post/$file
	3896	) >>"$at_stdout" 2>>"$at_stderr"
	3897	at_status=$? at_failed=false
	3898	$at_check_filter
	3899	echo stderr:; cat "$at_stderr"
	3900	echo stdout:; cat "$at_stdout"
	3901	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:17"
	3902	$at_failed && at_fn_log_failure
	3903	$at_traceon; }
	3904
	3905	set +x
	3906	$at_times_p && times >"$at_times_file"
	3907	) 5>&1 2>&1 \| eval $at_tee_pipe
	3908	read at_status <"$at_status_file"
	3909	#AT_STOP_26
	3910	#AT_START_27
	3911	# 27. testsuite-molecules.at:21: Molecules - Storing temperature
	3912	at_setup_line='testsuite-molecules.at:21'
	3913	at_fn_banner 6
	3914	at_desc="Molecules - Storing temperature"
	3915	at_desc_line=" 27: $at_desc "
	3916	$at_quiet $as_echo_n "$at_desc_line"
	3917	at_xfail=no
	3918	echo "# -- compilation --" >> "$at_group_log"
	3919	(
	3920	$as_echo "27. testsuite-molecules.at:21: testing ..."
	3921	$at_traceon
	3922
	3923
	3924	{ set +x
	3925	$as_echo "$at_srcdir/testsuite-molecules.at:23: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/3/pre/test.conf ."
	3926	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:23"
	3927	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/3/pre/test.conf .
	3928	) >>"$at_stdout" 2>>"$at_stderr"
	3929	at_status=$? at_failed=false
	3930	$at_check_filter
	3931	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3932	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3933	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:23"
	3934	$at_failed && at_fn_log_failure
	3935	$at_traceon; }
	3936
	3937	{ set +x
	3938	$as_echo "$at_srcdir/testsuite-molecules.at:24: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -S test.ekin"
	3939	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:24"
	3940	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -S test.ekin
	3941	) >>"$at_stdout" 2>>"$at_stderr"
	3942	at_status=$? at_failed=false
	3943	$at_check_filter
	3944	echo stderr:; tee stderr <"$at_stderr"
	3945	echo stdout:; tee stdout <"$at_stdout"
	3946	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:24"
	3947	$at_failed && at_fn_log_failure
	3948	$at_traceon; }
	3949
	3950	{ set +x
	3951	$as_echo "$at_srcdir/testsuite-molecules.at:25: file=test.ekin; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/3/post/\$file"
	3952	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:25"
	3953	( $at_check_trace; file=test.ekin; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/3/post/$file
	3954	) >>"$at_stdout" 2>>"$at_stderr"
	3955	at_status=$? at_failed=false
	3956	$at_check_filter
	3957	echo stderr:; cat "$at_stderr"
	3958	echo stdout:; cat "$at_stdout"
	3959	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:25"
	3960	$at_failed && at_fn_log_failure
	3961	$at_traceon; }
	3962
	3963	set +x
	3964	$at_times_p && times >"$at_times_file"
	3965	) 5>&1 2>&1 \| eval $at_tee_pipe
	3966	read at_status <"$at_status_file"
	3967	#AT_STOP_27
	3968	#AT_START_28
	3969	# 28. testsuite-molecules.at:29: Molecules - BROKEN: Linear interpolation
	3970	at_setup_line='testsuite-molecules.at:29'
	3971	at_fn_banner 6
	3972	at_desc="Molecules - BROKEN: Linear interpolation"
	3973	at_desc_line=" 28: $at_desc "
	3974	$at_quiet $as_echo_n "$at_desc_line"
	3975	at_xfail=no
	3976	echo "# -- compilation --" >> "$at_group_log"
	3977	(
	3978	$as_echo "28. testsuite-molecules.at:29: testing ..."
	3979	$at_traceon
	3980
	3981
	3982	{ set +x
	3983	$as_echo "$at_srcdir/testsuite-molecules.at:31: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/4/pre/test.conf ."
	3984	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:31"
	3985	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/4/pre/test.conf .
	3986	) >>"$at_stdout" 2>>"$at_stderr"
	3987	at_status=$? at_failed=false
	3988	$at_check_filter
	3989	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	3990	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	3991	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:31"
	3992	$at_failed && at_fn_log_failure
	3993	$at_traceon; }
	3994
	3995	{ set +x
	3996	$as_echo "$at_srcdir/testsuite-molecules.at:32: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -L 0 1 teststep 1"
	3997	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:32"
	3998	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -L 0 1 teststep 1
	3999	) >>"$at_stdout" 2>>"$at_stderr"
	4000	at_status=$? at_failed=false
	4001	$at_check_filter
	4002	echo stderr:; tee stderr <"$at_stderr"
	4003	echo stdout:; tee stdout <"$at_stdout"
	4004	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:32"
	4005	$at_failed && at_fn_log_failure
	4006	$at_traceon; }
	4007
	4008	set +x
	4009	$at_times_p && times >"$at_times_file"
	4010	) 5>&1 2>&1 \| eval $at_tee_pipe
	4011	read at_status <"$at_status_file"
	4012	#AT_STOP_28
	4013	#AT_START_29
	4014	# 29. testsuite-molecules.at:36: Molecules - BROKEN: Verlet force integration
	4015	at_setup_line='testsuite-molecules.at:36'
	4016	at_fn_banner 6
	4017	at_desc="Molecules - BROKEN: Verlet force integration"
	4018	at_desc_line=" 29: $at_desc "
	4019	$at_quiet $as_echo_n "$at_desc_line"
	4020	at_xfail=no
	4021	echo "# -- compilation --" >> "$at_group_log"
	4022	(
	4023	$as_echo "29. testsuite-molecules.at:36: testing ..."
	4024	$at_traceon
	4025
	4026
	4027	{ set +x
	4028	$as_echo "$at_srcdir/testsuite-molecules.at:38: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/5/pre/test.* ."
	4029	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:38"
	4030	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/5/pre/test.* .
	4031	) >>"$at_stdout" 2>>"$at_stderr"
	4032	at_status=$? at_failed=false
	4033	$at_check_filter
	4034	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4035	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4036	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:38"
	4037	$at_failed && at_fn_log_failure
	4038	$at_traceon; }
	4039
	4040	{ set +x
	4041	$as_echo "$at_srcdir/testsuite-molecules.at:39: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -P test.forces"
	4042	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:39"
	4043	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -P test.forces
	4044	) >>"$at_stdout" 2>>"$at_stderr"
	4045	at_status=$? at_failed=false
	4046	$at_check_filter
	4047	echo stderr:; tee stderr <"$at_stderr"
	4048	echo stdout:; tee stdout <"$at_stdout"
	4049	at_fn_check_status 134 $at_status "$at_srcdir/testsuite-molecules.at:39"
	4050	$at_failed && at_fn_log_failure
	4051	$at_traceon; }
	4052
	4053	#AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/5/post/$file], 0, [ignore], [ignore])
	4054	set +x
	4055	$at_times_p && times >"$at_times_file"
	4056	) 5>&1 2>&1 \| eval $at_tee_pipe
	4057	read at_status <"$at_status_file"
	4058	#AT_STOP_29
	4059	#AT_START_30
	4060	# 30. testsuite-molecules.at:44: Molecules - Translation
	4061	at_setup_line='testsuite-molecules.at:44'
	4062	at_fn_banner 6
	4063	at_desc="Molecules - Translation"
	4064	at_desc_line=" 30: $at_desc "
	4065	$at_quiet $as_echo_n "$at_desc_line"
	4066	at_xfail=no
	4067	echo "# -- compilation --" >> "$at_group_log"
	4068	(
	4069	$as_echo "30. testsuite-molecules.at:44: testing ..."
	4070	$at_traceon
	4071
	4072
	4073	{ set +x
	4074	$as_echo "$at_srcdir/testsuite-molecules.at:46: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/6/pre/test.* ."
	4075	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:46"
	4076	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/6/pre/test.* .
	4077	) >>"$at_stdout" 2>>"$at_stderr"
	4078	at_status=$? at_failed=false
	4079	$at_check_filter
	4080	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4081	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4082	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:46"
	4083	$at_failed && at_fn_log_failure
	4084	$at_traceon; }
	4085
	4086	{ set +x
	4087	$as_echo "$at_srcdir/testsuite-molecules.at:47: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -t 1. 1. 1."
	4088	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:47"
	4089	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -t 1. 1. 1.
	4090	) >>"$at_stdout" 2>>"$at_stderr"
	4091	at_status=$? at_failed=false
	4092	$at_check_filter
	4093	echo stderr:; tee stderr <"$at_stderr"
	4094	echo stdout:; tee stdout <"$at_stdout"
	4095	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:47"
	4096	$at_failed && at_fn_log_failure
	4097	$at_traceon; }
	4098
	4099	{ set +x
	4100	$as_echo "$at_srcdir/testsuite-molecules.at:48: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/6/post/\$file"
	4101	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:48"
	4102	( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/6/post/$file
	4103	) >>"$at_stdout" 2>>"$at_stderr"
	4104	at_status=$? at_failed=false
	4105	$at_check_filter
	4106	echo stderr:; cat "$at_stderr"
	4107	echo stdout:; cat "$at_stdout"
	4108	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:48"
	4109	$at_failed && at_fn_log_failure
	4110	$at_traceon; }
	4111
	4112	set +x
	4113	$at_times_p && times >"$at_times_file"
	4114	) 5>&1 2>&1 \| eval $at_tee_pipe
	4115	read at_status <"$at_status_file"
	4116	#AT_STOP_30
	4117	#AT_START_31
	4118	# 31. testsuite-molecules.at:52: Molecules - Periodic translation
	4119	at_setup_line='testsuite-molecules.at:52'
	4120	at_fn_banner 6
	4121	at_desc="Molecules - Periodic translation"
	4122	at_desc_line=" 31: $at_desc "
	4123	$at_quiet $as_echo_n "$at_desc_line"
	4124	at_xfail=no
	4125	echo "# -- compilation --" >> "$at_group_log"
	4126	(
	4127	$as_echo "31. testsuite-molecules.at:52: testing ..."
	4128	$at_traceon
	4129
	4130
	4131	{ set +x
	4132	$as_echo "$at_srcdir/testsuite-molecules.at:54: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/7/pre/test.* ."
	4133	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:54"
	4134	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/7/pre/test.* .
	4135	) >>"$at_stdout" 2>>"$at_stderr"
	4136	at_status=$? at_failed=false
	4137	$at_check_filter
	4138	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4139	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4140	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:54"
	4141	$at_failed && at_fn_log_failure
	4142	$at_traceon; }
	4143
	4144	{ set +x
	4145	$as_echo "$at_srcdir/testsuite-molecules.at:55: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -T 12. 12. 12."
	4146	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:55"
	4147	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -T 12. 12. 12.
	4148	) >>"$at_stdout" 2>>"$at_stderr"
	4149	at_status=$? at_failed=false
	4150	$at_check_filter
	4151	echo stderr:; tee stderr <"$at_stderr"
	4152	echo stdout:; tee stdout <"$at_stdout"
	4153	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:55"
	4154	$at_failed && at_fn_log_failure
	4155	$at_traceon; }
	4156
	4157	{ set +x
	4158	$as_echo "$at_srcdir/testsuite-molecules.at:56: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/7/post/\$file"
	4159	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:56"
	4160	( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/7/post/$file
	4161	) >>"$at_stdout" 2>>"$at_stderr"
	4162	at_status=$? at_failed=false
	4163	$at_check_filter
	4164	echo stderr:; cat "$at_stderr"
	4165	echo stdout:; cat "$at_stdout"
	4166	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:56"
	4167	$at_failed && at_fn_log_failure
	4168	$at_traceon; }
	4169
	4170	set +x
	4171	$at_times_p && times >"$at_times_file"
	4172	) 5>&1 2>&1 \| eval $at_tee_pipe
	4173	read at_status <"$at_status_file"
	4174	#AT_STOP_31
	4175	#AT_START_32
	4176	# 32. testsuite-molecules.at:60: Molecules - BROKEN: Rotate to PAS
	4177	at_setup_line='testsuite-molecules.at:60'
	4178	at_fn_banner 6
	4179	at_desc="Molecules - BROKEN: Rotate to PAS"
	4180	at_desc_line=" 32: $at_desc "
	4181	$at_quiet $as_echo_n "$at_desc_line"
	4182	at_xfail=no
	4183	echo "# -- compilation --" >> "$at_group_log"
	4184	(
	4185	$as_echo "32. testsuite-molecules.at:60: testing ..."
	4186	$at_traceon
	4187
	4188
	4189	{ set +x
	4190	$as_echo "$at_srcdir/testsuite-molecules.at:62: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/8/pre/test.* ."
	4191	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:62"
	4192	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/8/pre/test.* .
	4193	) >>"$at_stdout" 2>>"$at_stderr"
	4194	at_status=$? at_failed=false
	4195	$at_check_filter
	4196	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4197	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4198	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:62"
	4199	$at_failed && at_fn_log_failure
	4200	$at_traceon; }
	4201
	4202	{ set +x
	4203	$as_echo "$at_srcdir/testsuite-molecules.at:63: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -m 1"
	4204	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:63"
	4205	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -m 1
	4206	) >>"$at_stdout" 2>>"$at_stderr"
	4207	at_status=$? at_failed=false
	4208	$at_check_filter
	4209	echo stderr:; tee stderr <"$at_stderr"
	4210	echo stdout:; tee stdout <"$at_stdout"
	4211	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:63"
	4212	$at_failed && at_fn_log_failure
	4213	$at_traceon; }
	4214
	4215	#AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/8/post/$file], 0, [ignore], [ignore])
	4216	set +x
	4217	$at_times_p && times >"$at_times_file"
	4218	) 5>&1 2>&1 \| eval $at_tee_pipe
	4219	read at_status <"$at_status_file"
	4220	#AT_STOP_32
	4221	#AT_START_33
	4222	# 33. testsuite-fragmentation.at:3: Fragmentation - Checking present config
	4223	at_setup_line='testsuite-fragmentation.at:3'
	4224	at_fn_banner 7
	4225	at_desc="Fragmentation - Checking present config"
	4226	at_desc_line=" 33: $at_desc "
	4227	$at_quiet $as_echo_n "$at_desc_line"
	4228	at_xfail=no
	4229	echo "# -- compilation --" >> "$at_group_log"
	4230	(
	4231	$as_echo "33. testsuite-fragmentation.at:3: testing ..."
	4232	$at_traceon
	4233
	4234
	4235	{ set +x
	4236	$as_echo "$at_srcdir/testsuite-fragmentation.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Fragmentation/1/pre/test.conf ."
	4237	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:5"
	4238	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/1/pre/test.conf .
	4239	) >>"$at_stdout" 2>>"$at_stderr"
	4240	at_status=$? at_failed=false
	4241	$at_check_filter
	4242	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4243	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4244	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:5"
	4245	$at_failed && at_fn_log_failure
	4246	$at_traceon; }
	4247
	4248	{ set +x
	4249	$as_echo "$at_srcdir/testsuite-fragmentation.at:6: fgrep \"Ion_Type1_4\" test.conf"
	4250	at_fn_check_prepare_trace "testsuite-fragmentation.at:6"
	4251	( $at_check_trace; fgrep "Ion_Type1_4" test.conf
	4252	) >>"$at_stdout" 2>>"$at_stderr"
	4253	at_status=$? at_failed=false
	4254	$at_check_filter
	4255	echo stderr:; cat "$at_stderr"
	4256	echo >>"$at_stdout"; $as_echo "Ion_Type1_4 8.532785963 4.787886018 2.645886050 0 # molecule nr 6
	4257	" \| \
	4258	$at_diff - "$at_stdout" \|\| at_failed=:
	4259	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:6"
	4260	$at_failed && at_fn_log_failure
	4261	$at_traceon; }
	4262
	4263	{ set +x
	4264	$as_echo "$at_srcdir/testsuite-fragmentation.at:8: fgrep \"Ion_Type2_4\" test.conf"
	4265	at_fn_check_prepare_trace "testsuite-fragmentation.at:8"
	4266	( $at_check_trace; fgrep "Ion_Type2_4" test.conf
	4267	) >>"$at_stdout" 2>>"$at_stderr"
	4268	at_status=$? at_failed=false
	4269	$at_check_filter
	4270	echo stderr:; cat "$at_stderr"
	4271	echo stdout:; cat "$at_stdout"
	4272	at_fn_check_status 1 $at_status "$at_srcdir/testsuite-fragmentation.at:8"
	4273	$at_failed && at_fn_log_failure
	4274	$at_traceon; }
	4275
	4276	set +x
	4277	$at_times_p && times >"$at_times_file"
	4278	) 5>&1 2>&1 \| eval $at_tee_pipe
	4279	read at_status <"$at_status_file"
	4280	#AT_STOP_33
	4281	#AT_START_34
	4282	# 34. testsuite-fragmentation.at:12: Fragmentation - Fragmentation
	4283	at_setup_line='testsuite-fragmentation.at:12'
	4284	at_fn_banner 7
	4285	at_desc="Fragmentation - Fragmentation"
	4286	at_desc_line=" 34: $at_desc "
	4287	$at_quiet $as_echo_n "$at_desc_line"
	4288	at_xfail=no
	4289	echo "# -- compilation --" >> "$at_group_log"
	4290	(
	4291	$as_echo "34. testsuite-fragmentation.at:12: testing ..."
	4292	$at_traceon
	4293
	4294	{ set +x
	4295	$as_echo "$at_srcdir/testsuite-fragmentation.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Fragmentation/2/pre/test.conf ."
	4296	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:13"
	4297	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/2/pre/test.conf .
	4298	) >>"$at_stdout" 2>>"$at_stderr"
	4299	at_status=$? at_failed=false
	4300	$at_check_filter
	4301	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4302	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4303	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:13"
	4304	$at_failed && at_fn_log_failure
	4305	$at_traceon; }
	4306
	4307	{ set +x
	4308	$as_echo "$at_srcdir/testsuite-fragmentation.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -f 1.55 2"
	4309	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:14"
	4310	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -f 1.55 2
	4311	) >>"$at_stdout" 2>>"$at_stderr"
	4312	at_status=$? at_failed=false
	4313	$at_check_filter
	4314	echo stderr:; cat "$at_stderr"
	4315	echo stdout:; cat "$at_stdout"
	4316	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:14"
	4317	if $at_failed; then :
	4318	mkdir std; mv BondFragment.conf std/
	4319	fi
	4320	$at_failed && at_fn_log_failure
	4321	$at_traceon; }
	4322
	4323	{ set +x
	4324	$as_echo "$at_srcdir/testsuite-fragmentation.at:15: mkdir std; mv BondFragment.conf std/"
	4325	at_fn_check_prepare_trace "testsuite-fragmentation.at:15"
	4326	( $at_check_trace; mkdir std; mv BondFragment.conf std/
	4327	) >>"$at_stdout" 2>>"$at_stderr"
	4328	at_status=$? at_failed=false
	4329	$at_check_filter
	4330	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4331	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4332	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:15"
	4333	$at_failed && at_fn_log_failure
	4334	$at_traceon; }
	4335
	4336	{ set +x
	4337	$as_echo "$at_srcdir/testsuite-fragmentation.at:16: ls -l std/BondFragment*.conf \| wc -l"
	4338	at_fn_check_prepare_trace "testsuite-fragmentation.at:16"
	4339	( $at_check_trace; ls -l std/BondFragment*.conf \| wc -l
	4340	) >>"$at_stdout" 2>>"$at_stderr"
	4341	at_status=$? at_failed=false
	4342	$at_check_filter
	4343	echo stderr:; cat "$at_stderr"
	4344	echo >>"$at_stdout"; $as_echo "5
	4345	" \| \
	4346	$at_diff - "$at_stdout" \|\| at_failed=:
	4347	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:16"
	4348	$at_failed && at_fn_log_failure
	4349	$at_traceon; }
	4350
	4351	set +x
	4352	$at_times_p && times >"$at_times_file"
	4353	) 5>&1 2>&1 \| eval $at_tee_pipe
	4354	read at_status <"$at_status_file"
	4355	#AT_STOP_34
	4356	#AT_START_35
	4357	# 35. testsuite-fragmentation.at:21: Fragmentation - Fragmentation is at MaxOrder
	4358	at_setup_line='testsuite-fragmentation.at:21'
	4359	at_fn_banner 7
	4360	at_desc="Fragmentation - Fragmentation is at MaxOrder"
	4361	at_desc_line=" 35: $at_desc "
	4362	$at_quiet $as_echo_n "$at_desc_line"
	4363	at_xfail=no
	4364	echo "# -- compilation --" >> "$at_group_log"
	4365	(
	4366	$as_echo "35. testsuite-fragmentation.at:21: testing ..."
	4367	$at_traceon
	4368
	4369	{ set +x
	4370	$as_echo "$at_srcdir/testsuite-fragmentation.at:22: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Fragmentation/3/pre/* ."
	4371	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:22"
	4372	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/3/pre/* .
	4373	) >>"$at_stdout" 2>>"$at_stderr"
	4374	at_status=$? at_failed=false
	4375	$at_check_filter
	4376	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4377	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4378	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:22"
	4379	$at_failed && at_fn_log_failure
	4380	$at_traceon; }
	4381
	4382	{ set +x
	4383	$as_echo "$at_srcdir/testsuite-fragmentation.at:23: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -f 1.55 2"
	4384	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:23"
	4385	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -f 1.55 2
	4386	) >>"$at_stdout" 2>>"$at_stderr"
	4387	at_status=$? at_failed=false
	4388	$at_check_filter
	4389	echo stderr:; cat "$at_stderr"
	4390	echo stdout:; cat "$at_stdout"
	4391	at_fn_check_status 2 $at_status "$at_srcdir/testsuite-fragmentation.at:23"
	4392	if $at_failed; then :
	4393	mkdir new; mv BondFragment.conf new/
	4394	fi
	4395	$at_failed && at_fn_log_failure
	4396	$at_traceon; }
	4397
	4398	{ set +x
	4399	$as_echo "$at_srcdir/testsuite-fragmentation.at:24: mkdir new; mv BondFragment.conf new/"
	4400	at_fn_check_prepare_trace "testsuite-fragmentation.at:24"
	4401	( $at_check_trace; mkdir new; mv BondFragment.conf new/
	4402	) >>"$at_stdout" 2>>"$at_stderr"
	4403	at_status=$? at_failed=false
	4404	$at_check_filter
	4405	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4406	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4407	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:24"
	4408	$at_failed && at_fn_log_failure
	4409	$at_traceon; }
	4410
	4411	set +x
	4412	$at_times_p && times >"$at_times_file"
	4413	) 5>&1 2>&1 \| eval $at_tee_pipe
	4414	read at_status <"$at_status_file"
	4415	#AT_STOP_35
	4416	#AT_START_36
	4417	# 36. testsuite-tesselation.at:3: Tesselation - Non-Convex Envelope
	4418	at_setup_line='testsuite-tesselation.at:3'
	4419	at_fn_banner 8
	4420	at_desc="Tesselation - Non-Convex Envelope"
	4421	at_desc_line=" 36: $at_desc "
	4422	$at_quiet $as_echo_n "$at_desc_line"
	4423	at_xfail=no
	4424	echo "# -- compilation --" >> "$at_group_log"
	4425	(
	4426	$as_echo "36. testsuite-tesselation.at:3: testing ..."
	4427	$at_traceon
	4428
	4429
	4430	{ set +x
	4431	$as_echo "$at_srcdir/testsuite-tesselation.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/1/pre/* ."
	4432	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:5"
	4433	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/1/pre/* .
	4434	) >>"$at_stdout" 2>>"$at_stderr"
	4435	at_status=$? at_failed=false
	4436	$at_check_filter
	4437	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4438	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4439	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:5"
	4440	$at_failed && at_fn_log_failure
	4441	$at_traceon; }
	4442
	4443	{ set +x
	4444	$as_echo "$at_srcdir/testsuite-tesselation.at:6: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope"
	4445	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:6"
	4446	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope
	4447	) >>"$at_stdout" 2>>"$at_stderr"
	4448	at_status=$? at_failed=false
	4449	$at_check_filter
	4450	echo stderr:; tee stderr <"$at_stderr"
	4451	echo stdout:; tee stdout <"$at_stdout"
	4452	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:6"
	4453	$at_failed && at_fn_log_failure
	4454	$at_traceon; }
	4455
	4456	{ set +x
	4457	$as_echo "$at_srcdir/testsuite-tesselation.at:7: file=NonConvexEnvelope.dat; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/1/post/\$file"
	4458	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:7"
	4459	( $at_check_trace; file=NonConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/1/post/$file
	4460	) >>"$at_stdout" 2>>"$at_stderr"
	4461	at_status=$? at_failed=false
	4462	$at_check_filter
	4463	echo stderr:; cat "$at_stderr"
	4464	echo stdout:; cat "$at_stdout"
	4465	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:7"
	4466	$at_failed && at_fn_log_failure
	4467	$at_traceon; }
	4468
	4469	{ set +x
	4470	$as_echo "$at_srcdir/testsuite-tesselation.at:8: file=NonConvexEnvelope.r3d; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/1/post/\$file"
	4471	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:8"
	4472	( $at_check_trace; file=NonConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/1/post/$file
	4473	) >>"$at_stdout" 2>>"$at_stderr"
	4474	at_status=$? at_failed=false
	4475	$at_check_filter
	4476	echo stderr:; cat "$at_stderr"
	4477	echo stdout:; cat "$at_stdout"
	4478	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:8"
	4479	$at_failed && at_fn_log_failure
	4480	$at_traceon; }
	4481
	4482	set +x
	4483	$at_times_p && times >"$at_times_file"
	4484	) 5>&1 2>&1 \| eval $at_tee_pipe
	4485	read at_status <"$at_status_file"
	4486	#AT_STOP_36
	4487	#AT_START_37
	4488	# 37. testsuite-tesselation.at:12: Tesselation - Convex Envelope
	4489	at_setup_line='testsuite-tesselation.at:12'
	4490	at_fn_banner 8
	4491	at_desc="Tesselation - Convex Envelope"
	4492	at_desc_line=" 37: $at_desc "
	4493	$at_quiet $as_echo_n "$at_desc_line"
	4494	at_xfail=no
	4495	echo "# -- compilation --" >> "$at_group_log"
	4496	(
	4497	$as_echo "37. testsuite-tesselation.at:12: testing ..."
	4498	$at_traceon
	4499
	4500	{ set +x
	4501	$as_echo "$at_srcdir/testsuite-tesselation.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/2/pre/* ."
	4502	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:13"
	4503	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/2/pre/* .
	4504	) >>"$at_stdout" 2>>"$at_stderr"
	4505	at_status=$? at_failed=false
	4506	$at_check_filter
	4507	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4508	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4509	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:13"
	4510	$at_failed && at_fn_log_failure
	4511	$at_traceon; }
	4512
	4513	{ set +x
	4514	$as_echo "$at_srcdir/testsuite-tesselation.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -o ConvexEnvelope NonConvexEnvelope"
	4515	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:14"
	4516	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -o ConvexEnvelope NonConvexEnvelope
	4517	) >>"$at_stdout" 2>>"$at_stderr"
	4518	at_status=$? at_failed=false
	4519	$at_check_filter
	4520	echo stderr:; tee stderr <"$at_stderr"
	4521	echo stdout:; tee stdout <"$at_stdout"
	4522	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:14"
	4523	$at_failed && at_fn_log_failure
	4524	$at_traceon; }
	4525
	4526	{ set +x
	4527	$as_echo "$at_srcdir/testsuite-tesselation.at:15: file=ConvexEnvelope.dat; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/2/post/\$file"
	4528	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:15"
	4529	( $at_check_trace; file=ConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/2/post/$file
	4530	) >>"$at_stdout" 2>>"$at_stderr"
	4531	at_status=$? at_failed=false
	4532	$at_check_filter
	4533	echo stderr:; cat "$at_stderr"
	4534	echo stdout:; cat "$at_stdout"
	4535	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:15"
	4536	$at_failed && at_fn_log_failure
	4537	$at_traceon; }
	4538
	4539	{ set +x
	4540	$as_echo "$at_srcdir/testsuite-tesselation.at:16: file=ConvexEnvelope.r3d; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/2/post/\$file"
	4541	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:16"
	4542	( $at_check_trace; file=ConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/2/post/$file
	4543	) >>"$at_stdout" 2>>"$at_stderr"
	4544	at_status=$? at_failed=false
	4545	$at_check_filter
	4546	echo stderr:; cat "$at_stderr"
	4547	echo stdout:; cat "$at_stdout"
	4548	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:16"
	4549	$at_failed && at_fn_log_failure
	4550	$at_traceon; }
	4551
	4552	{ set +x
	4553	$as_echo "$at_srcdir/testsuite-tesselation.at:17: fgrep \"tesselated volume area is 16.4016 angstrom^3\" stdout"
	4554	at_fn_check_prepare_trace "testsuite-tesselation.at:17"
	4555	( $at_check_trace; fgrep "tesselated volume area is 16.4016 angstrom^3" stdout
	4556	) >>"$at_stdout" 2>>"$at_stderr"
	4557	at_status=$? at_failed=false
	4558	$at_check_filter
	4559	echo stderr:; cat "$at_stderr"
	4560	echo stdout:; cat "$at_stdout"
	4561	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:17"
	4562	$at_failed && at_fn_log_failure
	4563	$at_traceon; }
	4564
	4565	{ set +x
	4566	$as_echo "$at_srcdir/testsuite-tesselation.at:18: diff ConvexEnvelope.dat NonConvexEnvelope.dat"
	4567	at_fn_check_prepare_trace "testsuite-tesselation.at:18"
	4568	( $at_check_trace; diff ConvexEnvelope.dat NonConvexEnvelope.dat
	4569	) >>"$at_stdout" 2>>"$at_stderr"
	4570	at_status=$? at_failed=false
	4571	$at_check_filter
	4572	echo stderr:; cat "$at_stderr"
	4573	echo stdout:; cat "$at_stdout"
	4574	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:18"
	4575	$at_failed && at_fn_log_failure
	4576	$at_traceon; }
	4577
	4578	set +x
	4579	$at_times_p && times >"$at_times_file"
	4580	) 5>&1 2>&1 \| eval $at_tee_pipe
	4581	read at_status <"$at_status_file"
	4582	#AT_STOP_37
	4583	#AT_START_38
	4584	# 38. testsuite-tesselation.at:22: Tesselation - Big non-Convex Envelope
	4585	at_setup_line='testsuite-tesselation.at:22'
	4586	at_fn_banner 8
	4587	at_desc="Tesselation - Big non-Convex Envelope"
	4588	at_desc_line=" 38: $at_desc "
	4589	$at_quiet $as_echo_n "$at_desc_line"
	4590	at_xfail=no
	4591	echo "# -- compilation --" >> "$at_group_log"
	4592	(
	4593	$as_echo "38. testsuite-tesselation.at:22: testing ..."
	4594	$at_traceon
	4595
	4596	{ set +x
	4597	$as_echo "$at_srcdir/testsuite-tesselation.at:23: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/3/pre/* ."
	4598	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:23"
	4599	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/3/pre/* .
	4600	) >>"$at_stdout" 2>>"$at_stderr"
	4601	at_status=$? at_failed=false
	4602	$at_check_filter
	4603	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4604	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4605	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:23"
	4606	$at_failed && at_fn_log_failure
	4607	$at_traceon; }
	4608
	4609	{ set +x
	4610	$as_echo "$at_srcdir/testsuite-tesselation.at:24: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope"
	4611	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:24"
	4612	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope
	4613	) >>"$at_stdout" 2>>"$at_stderr"
	4614	at_status=$? at_failed=false
	4615	$at_check_filter
	4616	echo stderr:; tee stderr <"$at_stderr"
	4617	echo stdout:; tee stdout <"$at_stdout"
	4618	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:24"
	4619	$at_failed && at_fn_log_failure
	4620	$at_traceon; }
	4621
	4622	{ set +x
	4623	$as_echo "$at_srcdir/testsuite-tesselation.at:25: file=NonConvexEnvelope.dat; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/3/post/\$file"
	4624	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:25"
	4625	( $at_check_trace; file=NonConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/3/post/$file
	4626	) >>"$at_stdout" 2>>"$at_stderr"
	4627	at_status=$? at_failed=false
	4628	$at_check_filter
	4629	echo stderr:; cat "$at_stderr"
	4630	echo stdout:; cat "$at_stdout"
	4631	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:25"
	4632	$at_failed && at_fn_log_failure
	4633	$at_traceon; }
	4634
	4635	{ set +x
	4636	$as_echo "$at_srcdir/testsuite-tesselation.at:26: file=NonConvexEnvelope.r3d; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/3/post/\$file"
	4637	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:26"
	4638	( $at_check_trace; file=NonConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/3/post/$file
	4639	) >>"$at_stdout" 2>>"$at_stderr"
	4640	at_status=$? at_failed=false
	4641	$at_check_filter
	4642	echo stderr:; cat "$at_stderr"
	4643	echo stdout:; cat "$at_stdout"
	4644	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:26"
	4645	$at_failed && at_fn_log_failure
	4646	$at_traceon; }
	4647
	4648	set +x
	4649	$at_times_p && times >"$at_times_file"
	4650	) 5>&1 2>&1 \| eval $at_tee_pipe
	4651	read at_status <"$at_status_file"
	4652	#AT_STOP_38
	4653	#AT_START_39
	4654	# 39. testsuite-filling.at:3: Filling - filling empty box
	4655	at_setup_line='testsuite-filling.at:3'
	4656	at_fn_banner 9
	4657	at_desc="Filling - filling empty box"
	4658	at_desc_line=" 39: $at_desc "
	4659	$at_quiet $as_echo_n "$at_desc_line"
	4660	at_xfail=no
	4661	echo "# -- compilation --" >> "$at_group_log"
	4662	(
	4663	$as_echo "39. testsuite-filling.at:3: testing ..."
	4664	$at_traceon
	4665
	4666
	4667	{ set +x
	4668	$as_echo "$at_srcdir/testsuite-filling.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Filling/1/pre/test.conf ."
	4669	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:5"
	4670	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/1/pre/test.conf .
	4671	) >>"$at_stdout" 2>>"$at_stderr"
	4672	at_status=$? at_failed=false
	4673	$at_check_filter
	4674	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4675	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4676	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:5"
	4677	$at_failed && at_fn_log_failure
	4678	$at_traceon; }
	4679
	4680	cat >water.xyz <<'_ATEOF'
	4681	3
	4682	# test configuration, created by molecuilder test suite
	4683	O 0. 0. 0.
	4684	H 0.758602 0. 0.504284
	4685	H 0.758602 0. -0.504284
	4686	_ATEOF
	4687
	4688	{ set +x
	4689	$as_echo "$at_srcdir/testsuite-filling.at:12: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -F water.xyz 3.1 3.1 3.1 2.1 0. 0. 0"
	4690	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:12"
	4691	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -F water.xyz 3.1 3.1 3.1 2.1 0. 0. 0
	4692	) >>"$at_stdout" 2>>"$at_stderr"
	4693	at_status=$? at_failed=false
	4694	$at_check_filter
	4695	echo stderr:; tee stderr <"$at_stderr"
	4696	echo stdout:; tee stdout <"$at_stdout"
	4697	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:12"
	4698	$at_failed && at_fn_log_failure
	4699	$at_traceon; }
	4700
	4701	{ set +x
	4702	$as_echo "$at_srcdir/testsuite-filling.at:13: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Filling/1/post/\$file"
	4703	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:13"
	4704	( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/1/post/$file
	4705	) >>"$at_stdout" 2>>"$at_stderr"
	4706	at_status=$? at_failed=false
	4707	$at_check_filter
	4708	echo stderr:; cat "$at_stderr"
	4709	echo stdout:; cat "$at_stdout"
	4710	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:13"
	4711	$at_failed && at_fn_log_failure
	4712	$at_traceon; }
	4713
	4714	set +x
	4715	$at_times_p && times >"$at_times_file"
	4716	) 5>&1 2>&1 \| eval $at_tee_pipe
	4717	read at_status <"$at_status_file"
	4718	#AT_STOP_39
	4719	#AT_START_40
	4720	# 40. testsuite-filling.at:17: Filling - BROKEN: suspend in water
	4721	at_setup_line='testsuite-filling.at:17'
	4722	at_fn_banner 9
	4723	at_desc="Filling - BROKEN: suspend in water"
	4724	at_desc_line=" 40: $at_desc "
	4725	$at_quiet $as_echo_n "$at_desc_line"
	4726	at_xfail=no
	4727	echo "# -- compilation --" >> "$at_group_log"
	4728	(
	4729	$as_echo "40. testsuite-filling.at:17: testing ..."
	4730	$at_traceon
	4731
	4732
	4733	{ set +x
	4734	$as_echo "$at_srcdir/testsuite-filling.at:19: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Filling/2/pre/test.conf ."
	4735	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:19"
	4736	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/2/pre/test.conf .
	4737	) >>"$at_stdout" 2>>"$at_stderr"
	4738	at_status=$? at_failed=false
	4739	$at_check_filter
	4740	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4741	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4742	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:19"
	4743	$at_failed && at_fn_log_failure
	4744	$at_traceon; }
	4745
	4746	{ set +x
	4747	$as_echo "$at_srcdir/testsuite-filling.at:20: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -u 1.3"
	4748	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:20"
	4749	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -u 1.3
	4750	) >>"$at_stdout" 2>>"$at_stderr"
	4751	at_status=$? at_failed=false
	4752	$at_check_filter
	4753	echo stderr:; tee stderr <"$at_stderr"
	4754	echo stdout:; tee stdout <"$at_stdout"
	4755	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:20"
	4756	$at_failed && at_fn_log_failure
	4757	$at_traceon; }
	4758
	4759	#AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/2/post/$file], 0, [ignore], [ignore])
	4760	set +x
	4761	$at_times_p && times >"$at_times_file"
	4762	) 5>&1 2>&1 \| eval $at_tee_pipe
	4763	read at_status <"$at_status_file"
	4764	#AT_STOP_40
	4765	#AT_START_41
	4766	# 41. testsuite-analysis.at:3: Analysis - pair correlation
	4767	at_setup_line='testsuite-analysis.at:3'
	4768	at_fn_banner 10
	4769	at_desc="Analysis - pair correlation"
	4770	at_desc_line=" 41: $at_desc "
	4771	$at_quiet $as_echo_n "$at_desc_line"
	4772	at_xfail=no
	4773	echo "# -- compilation --" >> "$at_group_log"
	4774	(
	4775	$as_echo "41. testsuite-analysis.at:3: testing ..."
	4776	$at_traceon
	4777
	4778
	4779	{ set +x
	4780	$as_echo "$at_srcdir/testsuite-analysis.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/1/pre/test.conf ."
	4781	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:5"
	4782	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/1/pre/test.conf .
	4783	) >>"$at_stdout" 2>>"$at_stderr"
	4784	at_status=$? at_failed=false
	4785	$at_check_filter
	4786	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4787	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4788	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:5"
	4789	$at_failed && at_fn_log_failure
	4790	$at_traceon; }
	4791
	4792	{ set +x
	4793	$as_echo "$at_srcdir/testsuite-analysis.at:6: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -C E 1 8 output.csv bin_output.csv 0 20"
	4794	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:6"
	4795	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C E 1 8 output.csv bin_output.csv 0 20
	4796	) >>"$at_stdout" 2>>"$at_stderr"
	4797	at_status=$? at_failed=false
	4798	$at_check_filter
	4799	echo stderr:; tee stderr <"$at_stderr"
	4800	echo stdout:; tee stdout <"$at_stdout"
	4801	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:6"
	4802	$at_failed && at_fn_log_failure
	4803	$at_traceon; }
	4804
	4805	{ set +x
	4806	$as_echo "$at_srcdir/testsuite-analysis.at:7: fgrep \"Begin of PairCorrelation\" stdout"
	4807	at_fn_check_prepare_trace "testsuite-analysis.at:7"
	4808	( $at_check_trace; fgrep "Begin of PairCorrelation" stdout
	4809	) >>"$at_stdout" 2>>"$at_stderr"
	4810	at_status=$? at_failed=false
	4811	$at_check_filter
	4812	echo stderr:; cat "$at_stderr"
	4813	echo stdout:; cat "$at_stdout"
	4814	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:7"
	4815	$at_failed && at_fn_log_failure
	4816	$at_traceon; }
	4817
	4818	{ set +x
	4819	$as_echo "$at_srcdir/testsuite-analysis.at:8: file=output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/1/post/\$file"
	4820	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:8"
	4821	( $at_check_trace; file=output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/1/post/$file
	4822	) >>"$at_stdout" 2>>"$at_stderr"
	4823	at_status=$? at_failed=false
	4824	$at_check_filter
	4825	echo stderr:; cat "$at_stderr"
	4826	echo stdout:; cat "$at_stdout"
	4827	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:8"
	4828	$at_failed && at_fn_log_failure
	4829	$at_traceon; }
	4830
	4831	{ set +x
	4832	$as_echo "$at_srcdir/testsuite-analysis.at:9: file=bin_output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/1/post/\$file"
	4833	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:9"
	4834	( $at_check_trace; file=bin_output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/1/post/$file
	4835	) >>"$at_stdout" 2>>"$at_stderr"
	4836	at_status=$? at_failed=false
	4837	$at_check_filter
	4838	echo stderr:; cat "$at_stderr"
	4839	echo stdout:; cat "$at_stdout"
	4840	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:9"
	4841	$at_failed && at_fn_log_failure
	4842	$at_traceon; }
	4843
	4844	set +x
	4845	$at_times_p && times >"$at_times_file"
	4846	) 5>&1 2>&1 \| eval $at_tee_pipe
	4847	read at_status <"$at_status_file"
	4848	#AT_STOP_41
	4849	#AT_START_42
	4850	# 42. testsuite-analysis.at:13: Analysis - pair correlation range test
	4851	at_setup_line='testsuite-analysis.at:13'
	4852	at_fn_banner 10
	4853	at_desc="Analysis - pair correlation range test"
	4854	at_desc_line=" 42: $at_desc "
	4855	$at_quiet $as_echo_n "$at_desc_line"
	4856	at_xfail=no
	4857	echo "# -- compilation --" >> "$at_group_log"
	4858	(
	4859	$as_echo "42. testsuite-analysis.at:13: testing ..."
	4860	$at_traceon
	4861
	4862
	4863	{ set +x
	4864	$as_echo "$at_srcdir/testsuite-analysis.at:15: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/pre/test.conf ."
	4865	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:15"
	4866	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/pre/test.conf .
	4867	) >>"$at_stdout" 2>>"$at_stderr"
	4868	at_status=$? at_failed=false
	4869	$at_check_filter
	4870	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	4871	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	4872	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:15"
	4873	$at_failed && at_fn_log_failure
	4874	$at_traceon; }
	4875
	4876	{ set +x
	4877	$as_echo "$at_srcdir/testsuite-analysis.at:16: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-5.csv bin_output-5.csv 0 5"
	4878	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:16"
	4879	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-5.csv bin_output-5.csv 0 5
	4880	) >>"$at_stdout" 2>>"$at_stderr"
	4881	at_status=$? at_failed=false
	4882	$at_check_filter
	4883	echo stderr:; tee stderr <"$at_stderr"
	4884	echo stdout:; tee stdout <"$at_stdout"
	4885	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:16"
	4886	$at_failed && at_fn_log_failure
	4887	$at_traceon; }
	4888
	4889	{ set +x
	4890	$as_echo "$at_srcdir/testsuite-analysis.at:17: file=output-5.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
	4891	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:17"
	4892	( $at_check_trace; file=output-5.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
	4893	) >>"$at_stdout" 2>>"$at_stderr"
	4894	at_status=$? at_failed=false
	4895	$at_check_filter
	4896	echo stderr:; cat "$at_stderr"
	4897	echo stdout:; cat "$at_stdout"
	4898	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:17"
	4899	$at_failed && at_fn_log_failure
	4900	$at_traceon; }
	4901
	4902	{ set +x
	4903	$as_echo "$at_srcdir/testsuite-analysis.at:18: file=bin_output-5.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
	4904	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:18"
	4905	( $at_check_trace; file=bin_output-5.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
	4906	) >>"$at_stdout" 2>>"$at_stderr"
	4907	at_status=$? at_failed=false
	4908	$at_check_filter
	4909	echo stderr:; cat "$at_stderr"
	4910	echo stdout:; cat "$at_stdout"
	4911	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:18"
	4912	$at_failed && at_fn_log_failure
	4913	$at_traceon; }
	4914
	4915	{ set +x
	4916	$as_echo "$at_srcdir/testsuite-analysis.at:19: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-10.csv bin_output-10.csv 5 10"
	4917	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:19"
	4918	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-10.csv bin_output-10.csv 5 10
	4919	) >>"$at_stdout" 2>>"$at_stderr"
	4920	at_status=$? at_failed=false
	4921	$at_check_filter
	4922	echo stderr:; tee stderr <"$at_stderr"
	4923	echo stdout:; tee stdout <"$at_stdout"
	4924	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:19"
	4925	$at_failed && at_fn_log_failure
	4926	$at_traceon; }
	4927
	4928	{ set +x
	4929	$as_echo "$at_srcdir/testsuite-analysis.at:20: file=output-10.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
	4930	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:20"
	4931	( $at_check_trace; file=output-10.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
	4932	) >>"$at_stdout" 2>>"$at_stderr"
	4933	at_status=$? at_failed=false
	4934	$at_check_filter
	4935	echo stderr:; cat "$at_stderr"
	4936	echo stdout:; cat "$at_stdout"
	4937	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:20"
	4938	$at_failed && at_fn_log_failure
	4939	$at_traceon; }
	4940
	4941	{ set +x
	4942	$as_echo "$at_srcdir/testsuite-analysis.at:21: file=bin_output-10.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
	4943	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:21"
	4944	( $at_check_trace; file=bin_output-10.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
	4945	) >>"$at_stdout" 2>>"$at_stderr"
	4946	at_status=$? at_failed=false
	4947	$at_check_filter
	4948	echo stderr:; cat "$at_stderr"
	4949	echo stdout:; cat "$at_stdout"
	4950	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:21"
	4951	$at_failed && at_fn_log_failure
	4952	$at_traceon; }
	4953
	4954	{ set +x
	4955	$as_echo "$at_srcdir/testsuite-analysis.at:22: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-20.csv bin_output-20.csv 10 20"
	4956	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:22"
	4957	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-20.csv bin_output-20.csv 10 20
	4958	) >>"$at_stdout" 2>>"$at_stderr"
	4959	at_status=$? at_failed=false
	4960	$at_check_filter
	4961	echo stderr:; tee stderr <"$at_stderr"
	4962	echo stdout:; tee stdout <"$at_stdout"
	4963	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:22"
	4964	$at_failed && at_fn_log_failure
	4965	$at_traceon; }
	4966
	4967	{ set +x
	4968	$as_echo "$at_srcdir/testsuite-analysis.at:23: file=output-20.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
	4969	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:23"
	4970	( $at_check_trace; file=output-20.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
	4971	) >>"$at_stdout" 2>>"$at_stderr"
	4972	at_status=$? at_failed=false
	4973	$at_check_filter
	4974	echo stderr:; cat "$at_stderr"
	4975	echo stdout:; cat "$at_stdout"
	4976	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:23"
	4977	$at_failed && at_fn_log_failure
	4978	$at_traceon; }
	4979
	4980	{ set +x
	4981	$as_echo "$at_srcdir/testsuite-analysis.at:24: file=bin_output-20.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
	4982	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:24"
	4983	( $at_check_trace; file=bin_output-20.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
	4984	) >>"$at_stdout" 2>>"$at_stderr"
	4985	at_status=$? at_failed=false
	4986	$at_check_filter
	4987	echo stderr:; cat "$at_stderr"
	4988	echo stdout:; cat "$at_stdout"
	4989	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:24"
	4990	$at_failed && at_fn_log_failure
	4991	$at_traceon; }
	4992
	4993	set +x
	4994	$at_times_p && times >"$at_times_file"
	4995	) 5>&1 2>&1 \| eval $at_tee_pipe
	4996	read at_status <"$at_status_file"
	4997	#AT_STOP_42
	4998	#AT_START_43
	4999	# 43. testsuite-analysis.at:28: Analysis - point correlation
	5000	at_setup_line='testsuite-analysis.at:28'
	5001	at_fn_banner 10
	5002	at_desc="Analysis - point correlation"
	5003	at_desc_line=" 43: $at_desc "
	5004	$at_quiet $as_echo_n "$at_desc_line"
	5005	at_xfail=no
	5006	echo "# -- compilation --" >> "$at_group_log"
	5007	(
	5008	$as_echo "43. testsuite-analysis.at:28: testing ..."
	5009	$at_traceon
	5010
	5011
	5012	{ set +x
	5013	$as_echo "$at_srcdir/testsuite-analysis.at:30: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/3/pre/test.conf ."
	5014	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:30"
	5015	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/3/pre/test.conf .
	5016	) >>"$at_stdout" 2>>"$at_stderr"
	5017	at_status=$? at_failed=false
	5018	$at_check_filter
	5019	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	5020	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	5021	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:30"
	5022	$at_failed && at_fn_log_failure
	5023	$at_traceon; }
	5024
	5025	{ set +x
	5026	$as_echo "$at_srcdir/testsuite-analysis.at:31: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -C P 1 10. 10. 10. output.csv bin_output.csv 0 20"
	5027	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:31"
	5028	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C P 1 10. 10. 10. output.csv bin_output.csv 0 20
	5029	) >>"$at_stdout" 2>>"$at_stderr"
	5030	at_status=$? at_failed=false
	5031	$at_check_filter
	5032	echo stderr:; tee stderr <"$at_stderr"
	5033	echo stdout:; tee stdout <"$at_stdout"
	5034	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:31"
	5035	$at_failed && at_fn_log_failure
	5036	$at_traceon; }
	5037
	5038	{ set +x
	5039	$as_echo "$at_srcdir/testsuite-analysis.at:32: fgrep \"Begin of CorrelationToPoint\" stdout"
	5040	at_fn_check_prepare_trace "testsuite-analysis.at:32"
	5041	( $at_check_trace; fgrep "Begin of CorrelationToPoint" stdout
	5042	) >>"$at_stdout" 2>>"$at_stderr"
	5043	at_status=$? at_failed=false
	5044	$at_check_filter
	5045	echo stderr:; cat "$at_stderr"
	5046	echo stdout:; cat "$at_stdout"
	5047	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:32"
	5048	$at_failed && at_fn_log_failure
	5049	$at_traceon; }
	5050
	5051	{ set +x
	5052	$as_echo "$at_srcdir/testsuite-analysis.at:33: file=output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/3/post/\$file"
	5053	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:33"
	5054	( $at_check_trace; file=output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/3/post/$file
	5055	) >>"$at_stdout" 2>>"$at_stderr"
	5056	at_status=$? at_failed=false
	5057	$at_check_filter
	5058	echo stderr:; cat "$at_stderr"
	5059	echo stdout:; cat "$at_stdout"
	5060	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:33"
	5061	$at_failed && at_fn_log_failure
	5062	$at_traceon; }
	5063
	5064	{ set +x
	5065	$as_echo "$at_srcdir/testsuite-analysis.at:34: file=bin_output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/3/post/\$file"
	5066	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:34"
	5067	( $at_check_trace; file=bin_output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/3/post/$file
	5068	) >>"$at_stdout" 2>>"$at_stderr"
	5069	at_status=$? at_failed=false
	5070	$at_check_filter
	5071	echo stderr:; cat "$at_stderr"
	5072	echo stdout:; cat "$at_stdout"
	5073	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:34"
	5074	$at_failed && at_fn_log_failure
	5075	$at_traceon; }
	5076
	5077	set +x
	5078	$at_times_p && times >"$at_times_file"
	5079	) 5>&1 2>&1 \| eval $at_tee_pipe
	5080	read at_status <"$at_status_file"
	5081	#AT_STOP_43
	5082	#AT_START_44
	5083	# 44. testsuite-analysis.at:38: Analysis - surface correlation
	5084	at_setup_line='testsuite-analysis.at:38'
	5085	at_fn_banner 10
	5086	at_desc="Analysis - surface correlation"
	5087	at_desc_line=" 44: $at_desc "
	5088	$at_quiet $as_echo_n "$at_desc_line"
	5089	at_xfail=no
	5090	echo "# -- compilation --" >> "$at_group_log"
	5091	(
	5092	$as_echo "44. testsuite-analysis.at:38: testing ..."
	5093	$at_traceon
	5094
	5095
	5096	{ set +x
	5097	$as_echo "$at_srcdir/testsuite-analysis.at:40: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/4/pre/test.conf ."
	5098	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:40"
	5099	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/4/pre/test.conf .
	5100	) >>"$at_stdout" 2>>"$at_stderr"
	5101	at_status=$? at_failed=false
	5102	$at_check_filter
	5103	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	5104	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	5105	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:40"
	5106	$at_failed && at_fn_log_failure
	5107	$at_traceon; }
	5108
	5109	{ set +x
	5110	$as_echo "$at_srcdir/testsuite-analysis.at:41: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -I -C S 1 output.csv bin_output.csv 1. 0 20"
	5111	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:41"
	5112	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -I -C S 1 output.csv bin_output.csv 1. 0 20
	5113	) >>"$at_stdout" 2>>"$at_stderr"
	5114	at_status=$? at_failed=false
	5115	$at_check_filter
	5116	echo stderr:; tee stderr <"$at_stderr"
	5117	echo stdout:; tee stdout <"$at_stdout"
	5118	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:41"
	5119	$at_failed && at_fn_log_failure
	5120	$at_traceon; }
	5121
	5122	{ set +x
	5123	$as_echo "$at_srcdir/testsuite-analysis.at:42: fgrep \"Begin of CorrelationToSurface\" stdout"
	5124	at_fn_check_prepare_trace "testsuite-analysis.at:42"
	5125	( $at_check_trace; fgrep "Begin of CorrelationToSurface" stdout
	5126	) >>"$at_stdout" 2>>"$at_stderr"
	5127	at_status=$? at_failed=false
	5128	$at_check_filter
	5129	echo stderr:; cat "$at_stderr"
	5130	echo stdout:; cat "$at_stdout"
	5131	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:42"
	5132	$at_failed && at_fn_log_failure
	5133	$at_traceon; }
	5134
	5135	{ set +x
	5136	$as_echo "$at_srcdir/testsuite-analysis.at:43: file=output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/4/post/\$file"
	5137	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:43"
	5138	( $at_check_trace; file=output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/4/post/$file
	5139	) >>"$at_stdout" 2>>"$at_stderr"
	5140	at_status=$? at_failed=false
	5141	$at_check_filter
	5142	echo stderr:; cat "$at_stderr"
	5143	echo stdout:; cat "$at_stdout"
	5144	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:43"
	5145	$at_failed && at_fn_log_failure
	5146	$at_traceon; }
	5147
	5148	{ set +x
	5149	$as_echo "$at_srcdir/testsuite-analysis.at:44: file=bin_output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/4/post/\$file"
	5150	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:44"
	5151	( $at_check_trace; file=bin_output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/4/post/$file
	5152	) >>"$at_stdout" 2>>"$at_stderr"
	5153	at_status=$? at_failed=false
	5154	$at_check_filter
	5155	echo stderr:; cat "$at_stderr"
	5156	echo stdout:; cat "$at_stdout"
	5157	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:44"
	5158	$at_failed && at_fn_log_failure
	5159	$at_traceon; }
	5160
	5161	set +x
	5162	$at_times_p && times >"$at_times_file"
	5163	) 5>&1 2>&1 \| eval $at_tee_pipe
	5164	read at_status <"$at_status_file"
	5165	#AT_STOP_44
	5166	#AT_START_45
	5167	# 45. testsuite-analysis.at:48: Analysis - principal axis system
	5168	at_setup_line='testsuite-analysis.at:48'
	5169	at_fn_banner 10
	5170	at_desc="Analysis - principal axis system"
	5171	at_desc_line=" 45: $at_desc "
	5172	$at_quiet $as_echo_n "$at_desc_line"
	5173	at_xfail=no
	5174	echo "# -- compilation --" >> "$at_group_log"
	5175	(
	5176	$as_echo "45. testsuite-analysis.at:48: testing ..."
	5177	$at_traceon
	5178
	5179
	5180	{ set +x
	5181	$as_echo "$at_srcdir/testsuite-analysis.at:50: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/5/pre/test.conf ."
	5182	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:50"
	5183	( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/5/pre/test.conf .
	5184	) >>"$at_stdout" 2>>"$at_stderr"
	5185	at_status=$? at_failed=false
	5186	$at_check_filter
	5187	at_fn_diff_devnull "$at_stderr" \|\| at_failed=:
	5188	at_fn_diff_devnull "$at_stdout" \|\| at_failed=:
	5189	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:50"
	5190	$at_failed && at_fn_log_failure
	5191	$at_traceon; }
	5192
	5193	{ set +x
	5194	$as_echo "$at_srcdir/testsuite-analysis.at:51: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -m 0"
	5195	at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:51"
	5196	( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -m 0
	5197	) >>"$at_stdout" 2>>"$at_stderr"
	5198	at_status=$? at_failed=false
	5199	$at_check_filter
	5200	echo stderr:; tee stderr <"$at_stderr"
	5201	echo stdout:; tee stdout <"$at_stdout"
	5202	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:51"
	5203	$at_failed && at_fn_log_failure
	5204	$at_traceon; }
	5205
	5206	{ set +x
	5207	$as_echo "$at_srcdir/testsuite-analysis.at:52: fgrep \"eigenvalue = 4382.53,\" stdout"
	5208	at_fn_check_prepare_trace "testsuite-analysis.at:52"
	5209	( $at_check_trace; fgrep "eigenvalue = 4382.53," stdout
	5210	) >>"$at_stdout" 2>>"$at_stderr"
	5211	at_status=$? at_failed=false
	5212	$at_check_filter
	5213	echo stderr:; cat "$at_stderr"
	5214	echo stdout:; cat "$at_stdout"
	5215	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:52"
	5216	$at_failed && at_fn_log_failure
	5217	$at_traceon; }
	5218
	5219	{ set +x
	5220	$as_echo "$at_srcdir/testsuite-analysis.at:53: fgrep \"eigenvalue = 4369.24,\" stdout"
	5221	at_fn_check_prepare_trace "testsuite-analysis.at:53"
	5222	( $at_check_trace; fgrep "eigenvalue = 4369.24," stdout
	5223	) >>"$at_stdout" 2>>"$at_stderr"
	5224	at_status=$? at_failed=false
	5225	$at_check_filter
	5226	echo stderr:; cat "$at_stderr"
	5227	echo stdout:; cat "$at_stdout"
	5228	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:53"
	5229	$at_failed && at_fn_log_failure
	5230	$at_traceon; }
	5231
	5232	{ set +x
	5233	$as_echo "$at_srcdir/testsuite-analysis.at:54: fgrep \"eigenvalue = 28.9359,\" stdout"
	5234	at_fn_check_prepare_trace "testsuite-analysis.at:54"
	5235	( $at_check_trace; fgrep "eigenvalue = 28.9359," stdout
	5236	) >>"$at_stdout" 2>>"$at_stderr"
	5237	at_status=$? at_failed=false
	5238	$at_check_filter
	5239	echo stderr:; cat "$at_stderr"
	5240	echo stdout:; cat "$at_stdout"
	5241	at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:54"
	5242	$at_failed && at_fn_log_failure
	5243	$at_traceon; }
	5244
	5245	set +x
	5246	$at_times_p && times >"$at_times_file"
	5247	) 5>&1 2>&1 \| eval $at_tee_pipe
	5248	read at_status <"$at_status_file"
	5249	#AT_STOP_45

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