#! /bin/sh
# Generated from ../../../../molecuilder/tests/regression/testsuite.at by GNU Autoconf 2.65.
#
# Copyright (C) 2009 Free Software Foundation, Inc.
#
# This test suite is free software; the Free Software Foundation gives
# unlimited permission to copy, distribute and modify it.
## -------------------- ##
## M4sh Initialization. ##
## -------------------- ##

# Be more Bourne compatible
DUALCASE=1; export DUALCASE # for MKS sh
if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then :
  emulate sh
  NULLCMD=:
  # Pre-4.2 versions of Zsh do word splitting on ${1+"$@"}, which
  # is contrary to our usage.  Disable this feature.
  alias -g '${1+"$@"}'='"$@"'
  setopt NO_GLOB_SUBST
else
  case `(set -o) 2>/dev/null` in #(
  *posix*) :
    set -o posix ;; #(
  *) :
     ;;
esac
fi


as_nl='
'
export as_nl
# Printing a long string crashes Solaris 7 /usr/bin/printf.
as_echo='\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\\'
as_echo=$as_echo$as_echo$as_echo$as_echo$as_echo
as_echo=$as_echo$as_echo$as_echo$as_echo$as_echo$as_echo
# Prefer a ksh shell builtin over an external printf program on Solaris,
# but without wasting forks for bash or zsh.
if test -z "$BASH_VERSION$ZSH_VERSION" \
    && (test "X`print -r -- $as_echo`" = "X$as_echo") 2>/dev/null; then
  as_echo='print -r --'
  as_echo_n='print -rn --'
elif (test "X`printf %s $as_echo`" = "X$as_echo") 2>/dev/null; then
  as_echo='printf %s\n'
  as_echo_n='printf %s'
else
  if test "X`(/usr/ucb/echo -n -n $as_echo) 2>/dev/null`" = "X-n $as_echo"; then
    as_echo_body='eval /usr/ucb/echo -n "$1$as_nl"'
    as_echo_n='/usr/ucb/echo -n'
  else
    as_echo_body='eval expr "X$1" : "X\\(.*\\)"'
    as_echo_n_body='eval
      arg=$1;
      case $arg in #(
      *"$as_nl"*)
	expr "X$arg" : "X\\(.*\\)$as_nl";
	arg=`expr "X$arg" : ".*$as_nl\\(.*\\)"`;;
      esac;
      expr "X$arg" : "X\\(.*\\)" | tr -d "$as_nl"
    '
    export as_echo_n_body
    as_echo_n='sh -c $as_echo_n_body as_echo'
  fi
  export as_echo_body
  as_echo='sh -c $as_echo_body as_echo'
fi

# The user is always right.
if test "${PATH_SEPARATOR+set}" != set; then
  PATH_SEPARATOR=:
  (PATH='/bin;/bin'; FPATH=$PATH; sh -c :) >/dev/null 2>&1 && {
    (PATH='/bin:/bin'; FPATH=$PATH; sh -c :) >/dev/null 2>&1 ||
      PATH_SEPARATOR=';'
  }
fi


# IFS
# We need space, tab and new line, in precisely that order.  Quoting is
# there to prevent editors from complaining about space-tab.
# (If _AS_PATH_WALK were called with IFS unset, it would disable word
# splitting by setting IFS to empty value.)
IFS=" ""	$as_nl"

# Find who we are.  Look in the path if we contain no directory separator.
case $0 in #((
  *[\\/]* ) as_myself=$0 ;;
  *) as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
for as_dir in $PATH
do
  IFS=$as_save_IFS
  test -z "$as_dir" && as_dir=.
    test -r "$as_dir/$0" && as_myself=$as_dir/$0 && break
  done
IFS=$as_save_IFS

     ;;
esac
# We did not find ourselves, most probably we were run as `sh COMMAND'
# in which case we are not to be found in the path.
if test "x$as_myself" = x; then
  as_myself=$0
fi
if test ! -f "$as_myself"; then
  $as_echo "$as_myself: error: cannot find myself; rerun with an absolute file name" >&2
  exit 1
fi

# Unset variables that we do not need and which cause bugs (e.g. in
# pre-3.0 UWIN ksh).  But do not cause bugs in bash 2.01; the "|| exit 1"
# suppresses any "Segmentation fault" message there.  '((' could
# trigger a bug in pdksh 5.2.14.
for as_var in BASH_ENV ENV MAIL MAILPATH
do eval test x\${$as_var+set} = xset \
  && ( (unset $as_var) || exit 1) >/dev/null 2>&1 && unset $as_var || :
done
PS1='$ '
PS2='> '
PS4='+ '

# NLS nuisances.
LC_ALL=C
export LC_ALL
LANGUAGE=C
export LANGUAGE

# CDPATH.
(unset CDPATH) >/dev/null 2>&1 && unset CDPATH

if test "x$CONFIG_SHELL" = x; then
  as_bourne_compatible="if test -n \"\${ZSH_VERSION+set}\" && (emulate sh) >/dev/null 2>&1; then :
  emulate sh
  NULLCMD=:
  # Pre-4.2 versions of Zsh do word splitting on \${1+\"\$@\"}, which
  # is contrary to our usage.  Disable this feature.
  alias -g '\${1+\"\$@\"}'='\"\$@\"'
  setopt NO_GLOB_SUBST
else
  case \`(set -o) 2>/dev/null\` in #(
  *posix*) :
    set -o posix ;; #(
  *) :
     ;;
esac
fi
"
  as_required="as_fn_return () { (exit \$1); }
as_fn_success () { as_fn_return 0; }
as_fn_failure () { as_fn_return 1; }
as_fn_ret_success () { return 0; }
as_fn_ret_failure () { return 1; }

exitcode=0
as_fn_success || { exitcode=1; echo as_fn_success failed.; }
as_fn_failure && { exitcode=1; echo as_fn_failure succeeded.; }
as_fn_ret_success || { exitcode=1; echo as_fn_ret_success failed.; }
as_fn_ret_failure && { exitcode=1; echo as_fn_ret_failure succeeded.; }
if ( set x; as_fn_ret_success y && test x = \"\$1\" ); then :

else
  exitcode=1; echo positional parameters were not saved.
fi
test x\$exitcode = x0 || exit 1"
  as_suggested="  as_lineno_1=";as_suggested=$as_suggested$LINENO;as_suggested=$as_suggested" as_lineno_1a=\$LINENO
  as_lineno_2=";as_suggested=$as_suggested$LINENO;as_suggested=$as_suggested" as_lineno_2a=\$LINENO
  eval 'test \"x\$as_lineno_1'\$as_run'\" != \"x\$as_lineno_2'\$as_run'\" &&
  test \"x\`expr \$as_lineno_1'\$as_run' + 1\`\" = \"x\$as_lineno_2'\$as_run'\"' || exit 1
test \$(( 1 + 1 )) = 2 || exit 1"
  if (eval "$as_required") 2>/dev/null; then :
  as_have_required=yes
else
  as_have_required=no
fi
  if test x$as_have_required = xyes && (eval "$as_suggested") 2>/dev/null; then :

else
  as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
as_found=false
for as_dir in /bin$PATH_SEPARATOR/usr/bin$PATH_SEPARATOR$PATH
do
  IFS=$as_save_IFS
  test -z "$as_dir" && as_dir=.
  as_found=:
  case $as_dir in #(
	 /*)
	   for as_base in sh bash ksh sh5; do
	     # Try only shells that exist, to save several forks.
	     as_shell=$as_dir/$as_base
	     if { test -f "$as_shell" || test -f "$as_shell.exe"; } &&
		    { $as_echo "$as_bourne_compatible""$as_required" | as_run=a "$as_shell"; } 2>/dev/null; then :
  CONFIG_SHELL=$as_shell as_have_required=yes
		   if { $as_echo "$as_bourne_compatible""$as_suggested" | as_run=a "$as_shell"; } 2>/dev/null; then :
  break 2
fi
fi
	   done;;
       esac
  as_found=false
done
$as_found || { if { test -f "$SHELL" || test -f "$SHELL.exe"; } &&
	      { $as_echo "$as_bourne_compatible""$as_required" | as_run=a "$SHELL"; } 2>/dev/null; then :
  CONFIG_SHELL=$SHELL as_have_required=yes
fi; }
IFS=$as_save_IFS


      if test "x$CONFIG_SHELL" != x; then :
  # We cannot yet assume a decent shell, so we have to provide a
	# neutralization value for shells without unset; and this also
	# works around shells that cannot unset nonexistent variables.
	BASH_ENV=/dev/null
	ENV=/dev/null
	(unset BASH_ENV) >/dev/null 2>&1 && unset BASH_ENV ENV
	export CONFIG_SHELL
	exec "$CONFIG_SHELL" "$as_myself" ${1+"$@"}
fi

    if test x$as_have_required = xno; then :
  $as_echo "$0: This script requires a shell more modern than all"
  $as_echo "$0: the shells that I found on your system."
  if test x${ZSH_VERSION+set} = xset ; then
    $as_echo "$0: In particular, zsh $ZSH_VERSION has bugs and should"
    $as_echo "$0: be upgraded to zsh 4.3.4 or later."
  else
    $as_echo "$0: Please tell bug-autoconf@gnu.org about your system,
$0: including any error possibly output before this
$0: message. Then install a modern shell, or manually run
$0: the script under such a shell if you do have one."
  fi
  exit 1
fi
fi
fi
SHELL=${CONFIG_SHELL-/bin/sh}
export SHELL
# Unset more variables known to interfere with behavior of common tools.
CLICOLOR_FORCE= GREP_OPTIONS=
unset CLICOLOR_FORCE GREP_OPTIONS

## --------------------- ##
## M4sh Shell Functions. ##
## --------------------- ##
# as_fn_unset VAR
# ---------------
# Portably unset VAR.
as_fn_unset ()
{
  { eval $1=; unset $1;}
}
as_unset=as_fn_unset

# as_fn_set_status STATUS
# -----------------------
# Set $? to STATUS, without forking.
as_fn_set_status ()
{
  return $1
} # as_fn_set_status

# as_fn_exit STATUS
# -----------------
# Exit the shell with STATUS, even in a "trap 0" or "set -e" context.
as_fn_exit ()
{
  set +e
  as_fn_set_status $1
  exit $1
} # as_fn_exit

# as_fn_mkdir_p
# -------------
# Create "$as_dir" as a directory, including parents if necessary.
as_fn_mkdir_p ()
{

  case $as_dir in #(
  -*) as_dir=./$as_dir;;
  esac
  test -d "$as_dir" || eval $as_mkdir_p || {
    as_dirs=
    while :; do
      case $as_dir in #(
      *\'*) as_qdir=`$as_echo "$as_dir" | sed "s/'/'\\\\\\\\''/g"`;; #'(
      *) as_qdir=$as_dir;;
      esac
      as_dirs="'$as_qdir' $as_dirs"
      as_dir=`$as_dirname -- "$as_dir" ||
$as_expr X"$as_dir" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
	 X"$as_dir" : 'X\(//\)[^/]' \| \
	 X"$as_dir" : 'X\(//\)$' \| \
	 X"$as_dir" : 'X\(/\)' \| . 2>/dev/null ||
$as_echo X"$as_dir" |
    sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{
	    s//\1/
	    q
	  }
	  /^X\(\/\/\)[^/].*/{
	    s//\1/
	    q
	  }
	  /^X\(\/\/\)$/{
	    s//\1/
	    q
	  }
	  /^X\(\/\).*/{
	    s//\1/
	    q
	  }
	  s/.*/./; q'`
      test -d "$as_dir" && break
    done
    test -z "$as_dirs" || eval "mkdir $as_dirs"
  } || test -d "$as_dir" || as_fn_error "cannot create directory $as_dir"


} # as_fn_mkdir_p
# as_fn_append VAR VALUE
# ----------------------
# Append the text in VALUE to the end of the definition contained in VAR. Take
# advantage of any shell optimizations that allow amortized linear growth over
# repeated appends, instead of the typical quadratic growth present in naive
# implementations.
if (eval "as_var=1; as_var+=2; test x\$as_var = x12") 2>/dev/null; then :
  eval 'as_fn_append ()
  {
    eval $1+=\$2
  }'
else
  as_fn_append ()
  {
    eval $1=\$$1\$2
  }
fi # as_fn_append

# as_fn_arith ARG...
# ------------------
# Perform arithmetic evaluation on the ARGs, and store the result in the
# global $as_val. Take advantage of shells that can avoid forks. The arguments
# must be portable across $(()) and expr.
if (eval "test \$(( 1 + 1 )) = 2") 2>/dev/null; then :
  eval 'as_fn_arith ()
  {
    as_val=$(( $* ))
  }'
else
  as_fn_arith ()
  {
    as_val=`expr "$@" || test $? -eq 1`
  }
fi # as_fn_arith


# as_fn_error ERROR [LINENO LOG_FD]
# ---------------------------------
# Output "`basename $0`: error: ERROR" to stderr. If LINENO and LOG_FD are
# provided, also output the error to LOG_FD, referencing LINENO. Then exit the
# script with status $?, using 1 if that was 0.
as_fn_error ()
{
  as_status=$?; test $as_status -eq 0 && as_status=1
  if test "$3"; then
    as_lineno=${as_lineno-"$2"} as_lineno_stack=as_lineno_stack=$as_lineno_stack
    $as_echo "$as_me:${as_lineno-$LINENO}: error: $1" >&$3
  fi
  $as_echo "$as_me: error: $1" >&2
  as_fn_exit $as_status
} # as_fn_error

if expr a : '\(a\)' >/dev/null 2>&1 &&
   test "X`expr 00001 : '.*\(...\)'`" = X001; then
  as_expr=expr
else
  as_expr=false
fi

if (basename -- /) >/dev/null 2>&1 && test "X`basename -- / 2>&1`" = "X/"; then
  as_basename=basename
else
  as_basename=false
fi

as_me=`$as_basename -- "$0" ||
$as_expr X/"$0" : '.*/\([^/][^/]*\)/*$' \| \
	 X"$0" : 'X\(//\)$' \| \
	 X"$0" : 'X\(/\)' \| . 2>/dev/null ||
$as_echo X/"$0" |
    sed '/^.*\/\([^/][^/]*\)\/*$/{
	    s//\1/
	    q
	  }
	  /^X\/\(\/\/\)$/{
	    s//\1/
	    q
	  }
	  /^X\/\(\/\).*/{
	    s//\1/
	    q
	  }
	  s/.*/./; q'`

if (as_dir=`dirname -- /` && test "X$as_dir" = X/) >/dev/null 2>&1; then
  as_dirname=dirname
else
  as_dirname=false
fi

# Avoid depending upon Character Ranges.
as_cr_letters='abcdefghijklmnopqrstuvwxyz'
as_cr_LETTERS='ABCDEFGHIJKLMNOPQRSTUVWXYZ'
as_cr_Letters=$as_cr_letters$as_cr_LETTERS
as_cr_digits='0123456789'
as_cr_alnum=$as_cr_Letters$as_cr_digits


  as_lineno_1=$LINENO as_lineno_1a=$LINENO
  as_lineno_2=$LINENO as_lineno_2a=$LINENO
  eval 'test "x$as_lineno_1'$as_run'" != "x$as_lineno_2'$as_run'" &&
  test "x`expr $as_lineno_1'$as_run' + 1`" = "x$as_lineno_2'$as_run'"' || {
  # Blame Lee E. McMahon (1931-1989) for sed's syntax.  :-)
  sed -n '
    p
    /[$]LINENO/=
  ' <$as_myself |
    sed '
      s/[$]LINENO.*/&-/
      t lineno
      b
      :lineno
      N
      :loop
      s/[$]LINENO\([^'$as_cr_alnum'_].*\n\)\(.*\)/\2\1\2/
      t loop
      s/-\n.*//
    ' >$as_me.lineno &&
  chmod +x "$as_me.lineno" ||
    { $as_echo "$as_me: error: cannot create $as_me.lineno; rerun with a POSIX shell" >&2; as_fn_exit 1; }

  # Don't try to exec as it changes $[0], causing all sort of problems
  # (the dirname of $[0] is not the place where we might find the
  # original and so on.  Autoconf is especially sensitive to this).
  . "./$as_me.lineno"
  # Exit status is that of the last command.
  exit
}

ECHO_C= ECHO_N= ECHO_T=
case `echo -n x` in #(((((
-n*)
  case `echo 'xy\c'` in
  *c*) ECHO_T='	';;	# ECHO_T is single tab character.
  xy)  ECHO_C='\c';;
  *)   echo `echo ksh88 bug on AIX 6.1` > /dev/null
       ECHO_T='	';;
  esac;;
*)
  ECHO_N='-n';;
esac

rm -f conf$$ conf$$.exe conf$$.file
if test -d conf$$.dir; then
  rm -f conf$$.dir/conf$$.file
else
  rm -f conf$$.dir
  mkdir conf$$.dir 2>/dev/null
fi
if (echo >conf$$.file) 2>/dev/null; then
  if ln -s conf$$.file conf$$ 2>/dev/null; then
    as_ln_s='ln -s'
    # ... but there are two gotchas:
    # 1) On MSYS, both `ln -s file dir' and `ln file dir' fail.
    # 2) DJGPP < 2.04 has no symlinks; `ln -s' creates a wrapper executable.
    # In both cases, we have to default to `cp -p'.
    ln -s conf$$.file conf$$.dir 2>/dev/null && test ! -f conf$$.exe ||
      as_ln_s='cp -p'
  elif ln conf$$.file conf$$ 2>/dev/null; then
    as_ln_s=ln
  else
    as_ln_s='cp -p'
  fi
else
  as_ln_s='cp -p'
fi
rm -f conf$$ conf$$.exe conf$$.dir/conf$$.file conf$$.file
rmdir conf$$.dir 2>/dev/null

if mkdir -p . 2>/dev/null; then
  as_mkdir_p='mkdir -p "$as_dir"'
else
  test -d ./-p && rmdir ./-p
  as_mkdir_p=false
fi

if test -x / >/dev/null 2>&1; then
  as_test_x='test -x'
else
  if ls -dL / >/dev/null 2>&1; then
    as_ls_L_option=L
  else
    as_ls_L_option=
  fi
  as_test_x='
    eval sh -c '\''
      if test -d "$1"; then
	test -d "$1/.";
      else
	case $1 in #(
	-*)set "./$1";;
	esac;
	case `ls -ld'$as_ls_L_option' "$1" 2>/dev/null` in #((
	???[sx]*):;;*)false;;esac;fi
    '\'' sh
  '
fi
as_executable_p=$as_test_x

# Sed expression to map a string onto a valid CPP name.
as_tr_cpp="eval sed 'y%*$as_cr_letters%P$as_cr_LETTERS%;s%[^_$as_cr_alnum]%_%g'"

# Sed expression to map a string onto a valid variable name.
as_tr_sh="eval sed 'y%*+%pp%;s%[^_$as_cr_alnum]%_%g'"





SHELL=${CONFIG_SHELL-/bin/sh}

# How were we run?
at_cli_args="$@"


# Not all shells have the 'times' builtin; the subshell is needed to make
# sure we discard the 'times: not found' message from the shell.
at_times_p=false
(times) >/dev/null 2>&1 && at_times_p=:

# CLI Arguments to pass to the debugging scripts.
at_debug_args=
# -e sets to true
at_errexit_p=false
# Shall we be verbose?  ':' means no, empty means yes.
at_verbose=:
at_quiet=
# Running several jobs in parallel, 0 means as many as test groups.
at_jobs=1
at_traceon=:
at_trace_echo=:
at_check_filter_trace=:

# Shall we keep the debug scripts?  Must be `:' when the suite is
# run by a debug script, so that the script doesn't remove itself.
at_debug_p=false
# Display help message?
at_help_p=false
# Display the version message?
at_version_p=false
# List test groups?
at_list_p=false
# --clean
at_clean=false
# Test groups to run
at_groups=
# Whether a write failure occurred
at_write_fail=0

# The directory we run the suite in.  Default to . if no -C option.
at_dir=`pwd`
# An absolute reference to this testsuite script.
case $as_myself in
  [\\/]* | ?:[\\/]* ) at_myself=$as_myself ;;
  * ) at_myself=$at_dir/$as_myself ;;
esac
# Whether -C is in effect.
at_change_dir=false

# List of the tested programs.
at_tested='diff
fgrep
grep'
# List of the all the test groups.
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'
# As many question marks as there are digits in the last test group number.
# Used to normalize the test group numbers so that `ls' lists them in
# numerical order.
at_format='??'
# Description of all the test groups.
at_help_all="1;testsuite-standard_options.at:3;Standard Options - verbosity;options;
2;testsuite-standard_options.at:11;Standard Options - help screen;options;
3;testsuite-standard_options.at:18;Standard Options - no element database;options;
4;testsuite-standard_options.at:25;Standard Options - element database;options;
5;testsuite-standard_options.at:39;Standard Options - bond length table;options;
6;testsuite-standard_options.at:51;Standard Options - fast trajectories;options;
7;testsuite-standard_options.at:58;Standard Options - molecule default name;options;
8;testsuite-specifics.at:3;Specifics - MPQC basis;options;
9;testsuite-simple_configuration.at:3;Simple configuration - xyz file generation;configuration;
10;testsuite-simple_configuration.at:13;Simple configuration - parsing xyz file;configuration;
11;testsuite-simple_configuration.at:25;Simple configuration - adding atom;configuration;
12;testsuite-simple_configuration.at:34;Simple configuration - Changing element;configuration;
13;testsuite-simple_configuration.at:42;Simple configuration - Atom removal;configuration;
14;testsuite-simple_configuration.at:52;Simple configuration - invalid commands on empty configs;configuration;
15;testsuite-simple_configuration.at:60;Simple configuration - invalid commands on present configs;configuration;
16;testsuite-simple_configuration.at:86;Simple configuration - BROKEN: Removing sphere of atoms;configuration;
17;testsuite-domain.at:3;Domain - defining simulation domain;domain;
18;testsuite-domain.at:11;Domain - setting and centering in domain;domain;
19;testsuite-domain.at:19;Domain - centering with defined boundary;domain;
20;testsuite-domain.at:27;Domain - centering and setting domain;domain;
21;testsuite-domain.at:35;Domain - scaling box;domain;
22;testsuite-domain.at:43;Domain - duplicating box;domain;
23;testsuite-graph.at:3;Graph - DFS analysis;graph;
24;testsuite-graph.at:11;Graph - subgraph dissection;graph;
25;testsuite-molecules.at:3;Molecules - Bonds from file;molecules;
26;testsuite-molecules.at:11;Molecules - Storing bond info;molecules;
27;testsuite-molecules.at:21;Molecules - Storing temperature;molecules;
28;testsuite-molecules.at:29;Molecules - BROKEN: Linear interpolation;molecules;
29;testsuite-molecules.at:36;Molecules - BROKEN: Verlet force integration;molecules;
30;testsuite-molecules.at:44;Molecules - Translation;molecules;
31;testsuite-molecules.at:52;Molecules - Periodic translation;molecules;
32;testsuite-molecules.at:60;Molecules - BROKEN: Rotate to PAS;molecules;
33;testsuite-fragmentation.at:3;Fragmentation - Checking present config;fragmentation;
34;testsuite-fragmentation.at:12;Fragmentation - Fragmentation;;
35;testsuite-fragmentation.at:21;Fragmentation - Fragmentation is at MaxOrder;;
36;testsuite-tesselation.at:3;Tesselation - Non-Convex Envelope;tesselation;
37;testsuite-tesselation.at:12;Tesselation - Convex Envelope;;
38;testsuite-tesselation.at:22;Tesselation - Big non-Convex Envelope;;
39;testsuite-filling.at:3;Filling - filling empty box;filling;
40;testsuite-filling.at:17;Filling - BROKEN: suspend in water;filling;
41;testsuite-analysis.at:3;Analysis - pair correlation;analysis;
42;testsuite-analysis.at:13;Analysis - pair correlation range test;analysis;
43;testsuite-analysis.at:28;Analysis - point correlation;analysis;
44;testsuite-analysis.at:38;Analysis - surface correlation;analysis;
45;testsuite-analysis.at:48;Analysis - principal axis system;analysis;
"

# at_fn_validate_ranges NAME...
# -----------------------------
# Validate and normalize the test group number contained in each variable
# NAME. Leading zeroes are treated as decimal.
at_fn_validate_ranges ()
{
  for at_grp
  do
    eval at_value=\$$at_grp
    if test $at_value -lt 1 || test $at_value -gt 45; then
      $as_echo "invalid test group: $at_value" >&2
      exit 1
    fi
    case $at_value in
      0*) # We want to treat leading 0 as decimal, like expr and test, but
	  # AS_VAR_ARITH treats it as octal if it uses $(( )).
	  # With XSI shells, ${at_value#${at_value%%[1-9]*}} avoids the
	  # expr fork, but it is not worth the effort to determine if the
	  # shell supports XSI when the user can just avoid leading 0.
	  eval $at_grp='`expr $at_value + 0`' ;;
    esac
  done
}

at_prev=
for at_option
do
  # If the previous option needs an argument, assign it.
  if test -n "$at_prev"; then
    at_option=$at_prev=$at_option
    at_prev=
  fi

  case $at_option in
  *=*) at_optarg=`expr "x$at_option" : 'x[^=]*=\(.*\)'` ;;
  *)   at_optarg= ;;
  esac

  # Accept the important Cygnus configure options, so we can diagnose typos.

  case $at_option in
    --help | -h )
	at_help_p=:
	;;

    --list | -l )
	at_list_p=:
	;;

    --version | -V )
	at_version_p=:
	;;

    --clean | -c )
	at_clean=:
	;;

    --debug | -d )
	at_debug_p=:
	;;

    --errexit | -e )
	at_debug_p=:
	at_errexit_p=:
	;;

    --verbose | -v )
	at_verbose=; at_quiet=:
	;;

    --trace | -x )
	at_traceon='set -x'
	at_trace_echo=echo
	at_check_filter_trace=at_fn_filter_trace
	;;

    [0-9] | [0-9][0-9] | [0-9][0-9][0-9] | [0-9][0-9][0-9][0-9])
	at_fn_validate_ranges at_option
	as_fn_append at_groups "$at_option "
	;;

    # Ranges
    [0-9]- | [0-9][0-9]- | [0-9][0-9][0-9]- | [0-9][0-9][0-9][0-9]-)
	at_range_start=`echo $at_option |tr -d X-`
	at_fn_validate_ranges at_range_start
	at_range=`$as_echo " $at_groups_all " | \
	  sed -e 's/^.* \('$at_range_start' \)/\1/'`
	as_fn_append at_groups "$at_range "
	;;

    -[0-9] | -[0-9][0-9] | -[0-9][0-9][0-9] | -[0-9][0-9][0-9][0-9])
	at_range_end=`echo $at_option |tr -d X-`
	at_fn_validate_ranges at_range_end
	at_range=`$as_echo " $at_groups_all " | \
	  sed -e 's/\( '$at_range_end'\) .*$/\1/'`
	as_fn_append at_groups "$at_range "
	;;

    [0-9]-[0-9] | [0-9]-[0-9][0-9] | [0-9]-[0-9][0-9][0-9] | \
    [0-9]-[0-9][0-9][0-9][0-9] | [0-9][0-9]-[0-9][0-9] | \
    [0-9][0-9]-[0-9][0-9][0-9] | [0-9][0-9]-[0-9][0-9][0-9][0-9] | \
    [0-9][0-9][0-9]-[0-9][0-9][0-9] | \
    [0-9][0-9][0-9]-[0-9][0-9][0-9][0-9] | \
    [0-9][0-9][0-9][0-9]-[0-9][0-9][0-9][0-9] )
	at_range_start=`expr $at_option : '\(.*\)-'`
	at_range_end=`expr $at_option : '.*-\(.*\)'`
	if test $at_range_start -gt $at_range_end; then
	  at_tmp=$at_range_end
	  at_range_end=$at_range_start
	  at_range_start=$at_tmp
	fi
	at_fn_validate_ranges at_range_start at_range_end
	at_range=`$as_echo " $at_groups_all " | \
	  sed -e 's/^.*\( '$at_range_start' \)/\1/' \
	      -e 's/\( '$at_range_end'\) .*$/\1/'`
	as_fn_append at_groups "$at_range "
	;;

    # Directory selection.
    --directory | -C )
	at_prev=--directory
	;;
    --directory=* )
	at_change_dir=:
	at_dir=$at_optarg
	;;

    # Parallel execution.
    --jobs | -j )
	at_jobs=0
	;;
    --jobs=* | -j[0-9]* )
	if test -n "$at_optarg"; then
	  at_jobs=$at_optarg
	else
	  at_jobs=`expr X$at_option : 'X-j\(.*\)'`
	fi
	case $at_jobs in *[!0-9]*)
	  at_optname=`echo " $at_option" | sed 's/^ //; s/[0-9=].*//'`
	  as_fn_error "non-numeric argument to $at_optname: $at_jobs" ;;
	esac
	;;

    # Keywords.
    --keywords | -k )
	at_prev=--keywords
	;;
    --keywords=* )
	at_groups_selected=$at_help_all
	at_save_IFS=$IFS
	IFS=,
	set X $at_optarg
	shift
	IFS=$at_save_IFS
	for at_keyword
	do
	  at_invert=
	  case $at_keyword in
	  '!'*)
	    at_invert="-v"
	    at_keyword=`expr "X$at_keyword" : 'X!\(.*\)'`
	    ;;
	  esac
	  # It is on purpose that we match the test group titles too.
	  at_groups_selected=`$as_echo "$at_groups_selected" |
	      grep -i $at_invert "^[1-9][^;]*;.*[; ]$at_keyword[ ;]"`
	done
	# Smash the newlines.
	at_groups_selected=`$as_echo "$at_groups_selected" | sed 's/;.*//' |
	  tr "$as_nl" ' '
	`
	as_fn_append at_groups "$at_groups_selected "
	;;

    *=*)
	at_envvar=`expr "x$at_option" : 'x\([^=]*\)='`
	# Reject names that are not valid shell variable names.
	case $at_envvar in
	  '' | [0-9]* | *[!_$as_cr_alnum]* )
	    as_fn_error "invalid variable name: \`$at_envvar'" ;;
	esac
	at_value=`$as_echo "$at_optarg" | sed "s/'/'\\\\\\\\''/g"`
	# Export now, but save eval for later and for debug scripts.
	export $at_envvar
	as_fn_append at_debug_args " $at_envvar='$at_value'"
	;;

     *) $as_echo "$as_me: invalid option: $at_option" >&2
	$as_echo "Try \`$0 --help' for more information." >&2
	exit 1
	;;
  esac
done

# Verify our last option didn't require an argument
if test -n "$at_prev"; then :
  as_fn_error "\`$at_prev' requires an argument."
fi

# Selected test groups.
if test -z "$at_groups"; then
  at_groups=$at_groups_all
else
  # Sort the tests, removing duplicates.
  at_groups=`$as_echo "$at_groups" | tr ' ' "$as_nl" | sort -nu`
fi

# Help message.
if $at_help_p; then
  cat <<_ATEOF || at_write_fail=1
Usage: $0 [OPTION]... [VARIABLE=VALUE]... [TESTS]

Run all the tests, or the selected TESTS, given by numeric ranges, and
save a detailed log file.  Upon failure, create debugging scripts.

Do not change environment variables directly.  Instead, set them via
command line arguments.  Set \`AUTOTEST_PATH' to select the executables
to exercise.  Each relative directory is expanded as build and source
directories relative to the top level of this distribution.
E.g., from within the build directory /tmp/foo-1.0, invoking this:

  $ $0 AUTOTEST_PATH=bin

is equivalent to the following, assuming the source directory is /src/foo-1.0:

  PATH=/tmp/foo-1.0/bin:/src/foo-1.0/bin:\$PATH $0
_ATEOF
cat <<_ATEOF || at_write_fail=1

Operation modes:
  -h, --help     print the help message, then exit
  -V, --version  print version number, then exit
  -c, --clean    remove all the files this test suite might create and exit
  -l, --list     describes all the tests, or the selected TESTS
_ATEOF
cat <<_ATEOF || at_write_fail=1

Execution tuning:
  -C, --directory=DIR
                 change to directory DIR before starting
  -j, --jobs[=N]
                 Allow N jobs at once; infinite jobs with no arg (default 1)
  -k, --keywords=KEYWORDS
                 select the tests matching all the comma-separated KEYWORDS
                 multiple \`-k' accumulate; prefixed \`!' negates a KEYWORD
  -e, --errexit  abort as soon as a test fails; implies --debug
  -v, --verbose  force more detailed output
                 default for debugging scripts
  -d, --debug    inhibit clean up and top-level logging
                 default for debugging scripts
  -x, --trace    enable tests shell tracing
_ATEOF
cat <<_ATEOF || at_write_fail=1

Report bugs to <heber@ins.uni-bonn.de>.
_ATEOF
  exit $at_write_fail
fi

# List of tests.
if $at_list_p; then
  cat <<_ATEOF || at_write_fail=1
Molecuilder 1.0 test suite: Molecular Builder test groups:

 NUM: FILE-NAME:LINE     TEST-GROUP-NAME
      KEYWORDS

_ATEOF
  # Passing at_groups is tricky.  We cannot use it to form a literal string
  # or regexp because of the limitation of AIX awk.  And Solaris' awk
  # doesn't grok more than 99 fields in a record, so we have to use `split'.
  # at_groups needs to be space-separated for this script to work.
  case $at_groups in
    *"$as_nl"* )
      at_groups=`$as_echo "$at_groups" | tr "$as_nl" ' '` ;;
  esac
  $as_echo "$at_groups$as_nl$at_help_all" |
    awk 'BEGIN { FS = ";" }
	 NR == 1 {
	   for (n = split ($ 0, a, " "); n; n--)
	     selected[a[n]] = 1
	   next
	 }
	 NF > 0 {
	   if (selected[$ 1]) {
	     printf " %3d: %-18s %s\n", $ 1, $ 2, $ 3
	     if ($ 4) {
	       lmax = 79
	       indent = "     "
	       line = indent
	       len = length (line)
	       n = split ($ 4, a, " ")
	       for (i = 1; i <= n; i++) {
		 l = length (a[i]) + 1
		 if (i > 1 && len + l > lmax) {
		   print line
		   line = indent " " a[i]
		   len = length (line)
		 } else {
		   line = line " " a[i]
		   len += l
		 }
	       }
	       if (n)
		 print line
	     }
	   }
	 }' || at_write_fail=1
  exit $at_write_fail
fi
if $at_version_p; then
  $as_echo "$as_me (Molecuilder 1.0)" &&
  cat <<\_ATEOF || at_write_fail=1

Copyright (C) 2009 Free Software Foundation, Inc.
This test suite is free software; the Free Software Foundation gives
unlimited permission to copy, distribute and modify it.
_ATEOF
  exit $at_write_fail
fi

# Should we print banners?  at_groups is space-separated for entire test,
# newline-separated if only a subset of the testsuite is run.
case $at_groups in
  *' '*' '* | *"$as_nl"*"$as_nl"* )
      at_print_banners=: ;;
  * ) at_print_banners=false ;;
esac
# Text for banner N, set to empty once printed.
# Banner 1. testsuite-standard_options.at:1
# Category starts at test group 1.
at_banner_text_1="MoleCuilder - standard options"
# Banner 2. testsuite-specifics.at:1
# Category starts at test group 8.
at_banner_text_2="MoleCuilder - Specifics"
# Banner 3. testsuite-simple_configuration.at:1
# Category starts at test group 9.
at_banner_text_3="MoleCuilder - molecular config creation from xyz file and atom adding"
# Banner 4. testsuite-domain.at:1
# Category starts at test group 17.
at_banner_text_4="MoleCuilder - simulation domain"
# Banner 5. testsuite-graph.at:1
# Category starts at test group 23.
at_banner_text_5="MoleCuilder - Graph routines test"
# Banner 6. testsuite-molecules.at:1
# Category starts at test group 25.
at_banner_text_6="MoleCuilder - Molecules"
# Banner 7. testsuite-fragmentation.at:1
# Category starts at test group 33.
at_banner_text_7="MoleCuilder - Fragmentation and Re-fragmentation test"
# Banner 8. testsuite-tesselation.at:1
# Category starts at test group 36.
at_banner_text_8="MoleCuilder - Tesselation test"
# Banner 9. testsuite-filling.at:1
# Category starts at test group 39.
at_banner_text_9="MoleCuilder - Filling in molecules"
# Banner 10. testsuite-analysis.at:1
# Category starts at test group 41.
at_banner_text_10="MoleCuilder - Analysis"

# Take any -C into account.
if $at_change_dir ; then
  if test x- = "x$at_dir" ; then
    at_dir=./-
  fi
  test x != "x$at_dir" && cd "$at_dir" \
    || as_fn_error "unable to change directory"
  at_dir=`pwd`
fi

# Load the config files for any default variable assignments.
for at_file in atconfig atlocal
do
  test -r $at_file || continue
  . ./$at_file || as_fn_error "invalid content: $at_file"
done

# Autoconf <=2.59b set at_top_builddir instead of at_top_build_prefix:
: ${at_top_build_prefix=$at_top_builddir}

# Perform any assignments requested during argument parsing.
eval "$at_debug_args"

# atconfig delivers names relative to the directory the test suite is
# in, but the groups themselves are run in testsuite-dir/group-dir.
if test -n "$at_top_srcdir"; then
  builddir=../..
  for at_dir_var in srcdir top_srcdir top_build_prefix
  do
    eval at_val=\$at_$at_dir_var
    case $at_val in
      [\\/$]* | ?:[\\/]* ) at_prefix= ;;
      *) at_prefix=../../ ;;
    esac
    eval "$at_dir_var=\$at_prefix\$at_val"
  done
fi

## -------------------- ##
## Directory structure. ##
## -------------------- ##

# This is the set of directories and files used by this script
# (non-literals are capitalized):
#
# TESTSUITE         - the testsuite
# TESTSUITE.log     - summarizes the complete testsuite run
# TESTSUITE.dir/    - created during a run, remains after -d or failed test
# + at-groups/      - during a run: status of all groups in run
# | + NNN/          - during a run: meta-data about test group NNN
# | | + check-line  - location (source file and line) of current AT_CHECK
# | | + status      - exit status of current AT_CHECK
# | | + stdout      - stdout of current AT_CHECK
# | | + stder1      - stderr, including trace
# | | + stderr      - stderr, with trace filtered out
# | | + test-source - portion of testsuite that defines group
# | | + times       - timestamps for computing duration
# | | + pass        - created if group passed
# | | + xpass       - created if group xpassed
# | | + fail        - created if group failed
# | | + xfail       - created if group xfailed
# | | + skip        - created if group skipped
# + at-stop         - during a run: end the run if this file exists
# + at-source-lines - during a run: cache of TESTSUITE line numbers for extraction
# + 0..NNN/         - created for each group NNN, remains after -d or failed test
# | + TESTSUITE.log - summarizes the group results
# | + ...           - files created during the group

# The directory the whole suite works in.
# Should be absolute to let the user `cd' at will.
at_suite_dir=$at_dir/$as_me.dir
# The file containing the suite.
at_suite_log=$at_dir/$as_me.log
# The directory containing helper files per test group.
at_helper_dir=$at_suite_dir/at-groups
# Stop file: if it exists, do not start new jobs.
at_stop_file=$at_suite_dir/at-stop
# The fifo used for the job dispatcher.
at_job_fifo=$at_suite_dir/at-job-fifo

if $at_clean; then
  test -d "$at_suite_dir" &&
    find "$at_suite_dir" -type d ! -perm -700 -exec chmod u+rwx \{\} \;
  rm -f -r "$at_suite_dir" "$at_suite_log"
  exit $?
fi

# Don't take risks: use only absolute directories in PATH.
#
# For stand-alone test suites (ie. atconfig was not found),
# AUTOTEST_PATH is relative to `.'.
#
# For embedded test suites, AUTOTEST_PATH is relative to the top level
# of the package.  Then expand it into build/src parts, since users
# may create executables in both places.
AUTOTEST_PATH=`$as_echo "$AUTOTEST_PATH" | sed "s|:|$PATH_SEPARATOR|g"`
at_path=
as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
for as_dir in $AUTOTEST_PATH $PATH
do
  IFS=$as_save_IFS
  test -z "$as_dir" && as_dir=.
    test -n "$at_path" && as_fn_append at_path $PATH_SEPARATOR
case $as_dir in
  [\\/]* | ?:[\\/]* )
    as_fn_append at_path "$as_dir"
    ;;
  * )
    if test -z "$at_top_build_prefix"; then
      # Stand-alone test suite.
      as_fn_append at_path "$as_dir"
    else
      # Embedded test suite.
      as_fn_append at_path "$at_top_build_prefix$as_dir$PATH_SEPARATOR"
      as_fn_append at_path "$at_top_srcdir/$as_dir"
    fi
    ;;
esac
  done
IFS=$as_save_IFS


# Now build and simplify PATH.
#
# There might be directories that don't exist, but don't redirect
# builtins' (eg., cd) stderr directly: Ultrix's sh hates that.
at_new_path=
as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
for as_dir in $at_path
do
  IFS=$as_save_IFS
  test -z "$as_dir" && as_dir=.
    test -d "$as_dir" || continue
case $as_dir in
  [\\/]* | ?:[\\/]* ) ;;
  * ) as_dir=`(cd "$as_dir" && pwd) 2>/dev/null` ;;
esac
case $PATH_SEPARATOR$at_new_path$PATH_SEPARATOR in
  *$PATH_SEPARATOR$as_dir$PATH_SEPARATOR*) ;;
  $PATH_SEPARATOR$PATH_SEPARATOR) at_new_path=$as_dir ;;
  *) as_fn_append at_new_path "$PATH_SEPARATOR$as_dir" ;;
esac
  done
IFS=$as_save_IFS

PATH=$at_new_path
export PATH

# Setting up the FDs.


# 5 is the log file.  Not to be overwritten if `-d'.
if $at_debug_p; then
  at_suite_log=/dev/null
else
  : >"$at_suite_log"
fi
exec 5>>"$at_suite_log"

# Banners and logs.
cat <<\_ASBOX
## ---------------------------------------------- ##
## Molecuilder 1.0 test suite: Molecular Builder. ##
## ---------------------------------------------- ##
_ASBOX
{
  cat <<\_ASBOX
## ---------------------------------------------- ##
## Molecuilder 1.0 test suite: Molecular Builder. ##
## ---------------------------------------------- ##
_ASBOX
  echo

  $as_echo "$as_me: command line was:"
  $as_echo "  \$ $0 $at_cli_args"
  echo

  # Try to find a few ChangeLogs in case it might help determining the
  # exact version.  Use the relative dir: if the top dir is a symlink,
  # find will not follow it (and options to follow the links are not
  # portable), which would result in no output here.  Prune directories
  # matching the package tarname, since they tend to be leftovers from
  # `make dist' or `make distcheck' and contain redundant or stale logs.
  if test -n "$at_top_srcdir"; then
    cat <<\_ASBOX
## ----------- ##
## ChangeLogs. ##
## ----------- ##
_ASBOX
    echo
    for at_file in `find "$at_top_srcdir" -name "molecuilder-*" -prune -o -name ChangeLog -print`
    do
      $as_echo "$as_me: $at_file:"
      sed 's/^/| /;10q' $at_file
      echo
    done

  fi

  {
cat <<_ASUNAME
## --------- ##
## Platform. ##
## --------- ##

hostname = `(hostname || uname -n) 2>/dev/null | sed 1q`
uname -m = `(uname -m) 2>/dev/null || echo unknown`
uname -r = `(uname -r) 2>/dev/null || echo unknown`
uname -s = `(uname -s) 2>/dev/null || echo unknown`
uname -v = `(uname -v) 2>/dev/null || echo unknown`

/usr/bin/uname -p = `(/usr/bin/uname -p) 2>/dev/null || echo unknown`
/bin/uname -X     = `(/bin/uname -X) 2>/dev/null     || echo unknown`

/bin/arch              = `(/bin/arch) 2>/dev/null              || echo unknown`
/usr/bin/arch -k       = `(/usr/bin/arch -k) 2>/dev/null       || echo unknown`
/usr/convex/getsysinfo = `(/usr/convex/getsysinfo) 2>/dev/null || echo unknown`
/usr/bin/hostinfo      = `(/usr/bin/hostinfo) 2>/dev/null      || echo unknown`
/bin/machine           = `(/bin/machine) 2>/dev/null           || echo unknown`
/usr/bin/oslevel       = `(/usr/bin/oslevel) 2>/dev/null       || echo unknown`
/bin/universe          = `(/bin/universe) 2>/dev/null          || echo unknown`

_ASUNAME

as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
for as_dir in $PATH
do
  IFS=$as_save_IFS
  test -z "$as_dir" && as_dir=.
    $as_echo "PATH: $as_dir"
  done
IFS=$as_save_IFS

}
  echo

  # Contents of the config files.
  for at_file in atconfig atlocal
  do
    test -r $at_file || continue
    $as_echo "$as_me: $at_file:"
    sed 's/^/| /' $at_file
    echo
  done
} >&5


## ------------------------- ##
## Autotest shell functions. ##
## ------------------------- ##

# at_fn_banner NUMBER
# -------------------
# Output banner NUMBER, provided the testsuite is running multiple groups and
# this particular banner has not yet been printed.
at_fn_banner ()
{
  $at_print_banners || return 0
  eval at_banner_text=\$at_banner_text_$1
  test "x$at_banner_text" = x && return 0
  eval at_banner_text_$1=
  $as_echo "$as_nl$at_banner_text$as_nl"
} # at_fn_banner

# at_fn_check_prepare_notrace REASON LINE
# ---------------------------------------
# Perform AT_CHECK preparations for the command at LINE for an untraceable
# command; REASON is the reason for disabling tracing.
at_fn_check_prepare_notrace ()
{
  $at_trace_echo "Not enabling shell tracing (command contains $1)"
  $as_echo "$2" >"$at_check_line_file"
  at_check_trace=: at_check_filter=:
  : >"$at_stdout"; : >"$at_stderr"
}

# at_fn_check_prepare_trace LINE
# ------------------------------
# Perform AT_CHECK preparations for the command at LINE for a traceable
# command.
at_fn_check_prepare_trace ()
{
  $as_echo "$1" >"$at_check_line_file"
  at_check_trace=$at_traceon at_check_filter=$at_check_filter_trace
  : >"$at_stdout"; : >"$at_stderr"
}

# at_fn_check_prepare_dynamic COMMAND LINE
# ----------------------------------------
# Decide if COMMAND at LINE is traceable at runtime, and call the appropriate
# preparation function.
at_fn_check_prepare_dynamic ()
{
  case $1 in
    *$as_nl*)
      at_fn_check_prepare_notrace 'an embedded newline' "$2" ;;
    *)
      at_fn_check_prepare_trace "$2" ;;
  esac
}

# at_fn_filter_trace
# ------------------
# Remove the lines in the file "$at_stderr" generated by "set -x" and print
# them to stderr.
at_fn_filter_trace ()
{
  mv "$at_stderr" "$at_stder1"
  grep '^ *+' "$at_stder1" >&2
  grep -v '^ *+' "$at_stder1" >"$at_stderr"
}

# at_fn_log_failure FILE-LIST
# ---------------------------
# Copy the files in the list on stdout with a "> " prefix, and exit the shell
# with a failure exit code.
at_fn_log_failure ()
{
  for file
    do $as_echo "$file:"; sed 's/^/> /' "$file"; done
  echo 1 > "$at_status_file"
  exit 1
}

# at_fn_check_skip EXIT-CODE LINE
# -------------------------------
# Check whether EXIT-CODE is a special exit code (77 or 99), and if so exit
# the test group subshell with that same exit code. Use LINE in any report
# about test failure.
at_fn_check_skip ()
{
  case $1 in
    99) echo 99 > "$at_status_file"; at_failed=:
	$as_echo "$2: hard failure"; exit 99;;
    77) echo 77 > "$at_status_file"; exit 77;;
  esac
}

# at_fn_check_status EXPECTED EXIT-CODE LINE
# ------------------------------------------
# Check whether EXIT-CODE is the EXPECTED exit code, and if so do nothing.
# Otherwise, if it is 77 or 99, exit the test group subshell with that same
# exit code; if it is anything else print an error message referring to LINE,
# and fail the test.
at_fn_check_status ()
{
  case $2 in
    $1 ) ;;
    77) echo 77 > "$at_status_file"; exit 77;;
    99) echo 99 > "$at_status_file"; at_failed=:
	$as_echo "$3: hard failure"; exit 99;;
    *) $as_echo "$3: exit code was $2, expected $1"
      at_failed=:;;
  esac
}

# at_fn_diff_devnull FILE
# -----------------------
# Emit a diff between /dev/null and FILE. Uses "test -s" to avoid useless diff
# invocations.
at_fn_diff_devnull ()
{
  test -s "$1" || return 0
  $at_diff "$at_devnull" "$1"
}

# at_fn_test NUMBER
# -----------------
# Parse out test NUMBER from the tail of this file.
at_fn_test ()
{
  eval at_sed=\$at_sed$1
  sed "$at_sed" "$at_myself" > "$at_test_source"
}

# at_fn_create_debugging_script
# -----------------------------
# Create the debugging script $at_group_dir/run which will reproduce the
# current test group.
at_fn_create_debugging_script ()
{
  {
    echo "#! /bin/sh" &&
    echo 'test "${ZSH_VERSION+set}" = set && alias -g '\''${1+"$@"}'\''='\''"$@"'\''' &&
    $as_echo "cd '$at_dir'" &&
    $as_echo "exec \${CONFIG_SHELL-$SHELL} \"$at_myself\" -v -d $at_debug_args $at_group \${1+\"\$@\"}" &&
    echo 'exit 1'
  } >"$at_group_dir/run" &&
  chmod +x "$at_group_dir/run"
}

## -------------------------------- ##
## End of autotest shell functions. ##
## -------------------------------- ##
{
  cat <<\_ASBOX
## ---------------- ##
## Tested programs. ##
## ---------------- ##
_ASBOX
  echo
} >&5

# Report what programs are being tested.
for at_program in : $at_tested
do
  test "$at_program" = : && continue
  case $at_program in
    [\\/]* | ?:[\\/]* ) $at_program_=$at_program ;;
    * )
    as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
for as_dir in $PATH
do
  IFS=$as_save_IFS
  test -z "$as_dir" && as_dir=.
    test -f "$as_dir/$at_program" && break
  done
IFS=$as_save_IFS

    at_program_=$as_dir/$at_program ;;
  esac
  if test -f "$at_program_"; then
    {
      $as_echo "$at_srcdir/testsuite.at:6: $at_program_ --version"
      "$at_program_" --version </dev/null
      echo
    } >&5 2>&1
  else
    as_fn_error "cannot find $at_program" "$LINENO" 5
  fi
done

{
  cat <<\_ASBOX
## ------------------ ##
## Running the tests. ##
## ------------------ ##
_ASBOX
} >&5

at_start_date=`date`
at_start_time=`date +%s 2>/dev/null`
$as_echo "$as_me: starting at: $at_start_date" >&5

# Create the master directory if it doesn't already exist.
as_dir="$at_suite_dir"; as_fn_mkdir_p ||
  as_fn_error "cannot create \`$at_suite_dir'" "$LINENO" 5

# Can we diff with `/dev/null'?  DU 5.0 refuses.
if diff /dev/null /dev/null >/dev/null 2>&1; then
  at_devnull=/dev/null
else
  at_devnull=$at_suite_dir/devnull
  >"$at_devnull"
fi

# Use `diff -u' when possible.
if at_diff=`diff -u "$at_devnull" "$at_devnull" 2>&1` && test -z "$at_diff"
then
  at_diff='diff -u'
else
  at_diff=diff
fi

# Get the last needed group.
for at_group in : $at_groups; do :; done

# Extract the start and end lines of each test group at the tail
# of this file
awk '
BEGIN { FS="" }
/^#AT_START_/ {
  start = NR
}
/^#AT_STOP_/ {
  test = substr ($ 0, 10)
  print "at_sed" test "=\"1," start "d;" (NR-1) "q\""
  if (test == "'"$at_group"'") exit
}' "$at_myself" > "$at_suite_dir/at-source-lines" &&
. "$at_suite_dir/at-source-lines" ||
  as_fn_error "cannot create test line number cache" "$LINENO" 5
rm -f "$at_suite_dir/at-source-lines"

# Set number of jobs for `-j'; avoid more jobs than test groups.
set X $at_groups; shift; at_max_jobs=$#
if test $at_max_jobs -eq 0; then
  at_jobs=1
fi
if test $at_jobs -ne 1 &&
   { test $at_jobs -eq 0 || test $at_jobs -gt $at_max_jobs; }; then
  at_jobs=$at_max_jobs
fi

# If parallel mode, don't output banners, don't split summary lines.
if test $at_jobs -ne 1; then
  at_print_banners=false
  at_quiet=:
fi

# Set up helper dirs.
rm -rf "$at_helper_dir" &&
mkdir "$at_helper_dir" &&
cd "$at_helper_dir" &&
{ test -z "$at_groups" || mkdir $at_groups; } ||
as_fn_error "testsuite directory setup failed" "$LINENO" 5

# Functions for running a test group.  We leave the actual
# test group execution outside of a shell function in order
# to avoid hitting zsh 4.x exit status bugs.

# at_fn_group_prepare
# -------------------
# Prepare running a test group.
at_fn_group_prepare ()
{
  # The directory for additional per-group helper files.
  at_job_dir=$at_helper_dir/$at_group
  # The file containing the location of the last AT_CHECK.
  at_check_line_file=$at_job_dir/check-line
  # The file containing the exit status of the last command.
  at_status_file=$at_job_dir/status
  # The files containing the output of the tested commands.
  at_stdout=$at_job_dir/stdout
  at_stder1=$at_job_dir/stder1
  at_stderr=$at_job_dir/stderr
  # The file containing the code for a test group.
  at_test_source=$at_job_dir/test-source
  # The file containing dates.
  at_times_file=$at_job_dir/times

  # Be sure to come back to the top test directory.
  cd "$at_suite_dir"

  # Clearly separate the test groups when verbose.
  $at_first || $at_verbose echo

  at_group_normalized=$at_group

  eval 'while :; do
    case $at_group_normalized in #(
    '"$at_format"'*) break;;
    esac
    at_group_normalized=0$at_group_normalized
  done'


  # Create a fresh directory for the next test group, and enter.
  # If one already exists, the user may have invoked ./run from
  # within that directory; we remove the contents, but not the
  # directory itself, so that we aren't pulling the rug out from
  # under the shell's notion of the current directory.
  at_group_dir=$at_suite_dir/$at_group_normalized
  at_group_log=$at_group_dir/$as_me.log
  if test -d "$at_group_dir"; then
  find "$at_group_dir" -type d ! -perm -700 -exec chmod u+rwx {} \;
  rm -fr "$at_group_dir"/* "$at_group_dir"/.[!.] "$at_group_dir"/.??*
fi ||
    { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: test directory for $at_group_normalized could not be cleaned." >&5
$as_echo "$as_me: WARNING: test directory for $at_group_normalized could not be cleaned." >&2;}
  # Be tolerant if the above `rm' was not able to remove the directory.
  as_dir="$at_group_dir"; as_fn_mkdir_p

  echo 0 > "$at_status_file"

  # In verbose mode, append to the log file *and* show on
  # the standard output; in quiet mode only write to the log.
  if test -z "$at_verbose"; then
    at_tee_pipe='tee -a "$at_group_log"'
  else
    at_tee_pipe='cat >> "$at_group_log"'
  fi
}

# at_fn_group_postprocess
# -----------------------
# Perform cleanup after running a test group.
at_fn_group_postprocess ()
{
  # Be sure to come back to the suite directory, in particular
  # since below we might `rm' the group directory we are in currently.
  cd "$at_suite_dir"

  if test ! -f "$at_check_line_file"; then
    sed "s/^ */$as_me: WARNING: /" <<_ATEOF
      A failure happened in a test group before any test could be
      run. This means that test suite is improperly designed.  Please
      report this failure to <heber@ins.uni-bonn.de>.
_ATEOF
    $as_echo "$at_setup_line" >"$at_check_line_file"
    at_status=99
  fi
  $at_verbose $as_echo_n "$at_group. $at_setup_line: "
  $as_echo_n "$at_group. $at_setup_line: " >> "$at_group_log"
  case $at_xfail:$at_status in
    *:99)
	at_msg='FAILED ('`cat "$at_check_line_file"`')'
	at_res=fail
	at_errexit=$at_errexit_p
	;;
    yes:0)
	at_msg="UNEXPECTED PASS"
	at_res=xpass
	at_errexit=$at_errexit_p
	;;
    no:0)
	at_msg="ok"
	at_res=pass
	at_errexit=false
	;;
    *:77)
	at_msg='skipped ('`cat "$at_check_line_file"`')'
	at_res=skip
	at_errexit=false
	;;
    yes:*)
	at_msg='expected failure ('`cat "$at_check_line_file"`')'
	at_res=xfail
	at_errexit=false
	;;
    no:*)
	at_msg='FAILED ('`cat "$at_check_line_file"`')'
	at_res=fail
	at_errexit=$at_errexit_p
	;;
  esac
  echo "$at_res" > "$at_job_dir/$at_res"
  # In parallel mode, output the summary line only afterwards.
  if test $at_jobs -ne 1 && test -n "$at_verbose"; then
    $as_echo "$at_desc_line $at_msg"
  else
    # Make sure there is a separator even with long titles.
    $as_echo " $at_msg"
  fi
  at_log_msg="$at_group. $at_desc ($at_setup_line): $at_msg"
  case $at_status in
    0|77)
      # $at_times_file is only available if the group succeeded.
      # We're not including the group log, so the success message
      # is written in the global log separately.  But we also
      # write to the group log in case they're using -d.
      if test -f "$at_times_file"; then
	at_log_msg="$at_log_msg     ("`sed 1d "$at_times_file"`')'
	rm -f "$at_times_file"
      fi
      $as_echo "$at_log_msg" >> "$at_group_log"
      $as_echo "$at_log_msg" >&5

      # Cleanup the group directory, unless the user wants the files.
      if $at_debug_p; then
	at_fn_create_debugging_script
      else
	if test -d "$at_group_dir"; then
	  find "$at_group_dir" -type d ! -perm -700 -exec chmod u+rwx \{\} \;
	  rm -fr "$at_group_dir"
	fi
	rm -f "$at_test_source"
      fi
      ;;
    *)
      # Upon failure, include the log into the testsuite's global
      # log.  The failure message is written in the group log.  It
      # is later included in the global log.
      $as_echo "$at_log_msg" >> "$at_group_log"

      # Upon failure, keep the group directory for autopsy, and create
      # the debugging script.  With -e, do not start any further tests.
      at_fn_create_debugging_script
      if $at_errexit; then
	echo stop > "$at_stop_file"
      fi
      ;;
  esac
}


## ------------ ##
## Driver loop. ##
## ------------ ##


if (set -m && set +m && set +b) >/dev/null 2>&1; then
  set +b
  at_job_control_on='set -m' at_job_control_off='set +m' at_job_group=-
else
  at_job_control_on=: at_job_control_off=: at_job_group=
fi

for at_signal in 1 2 15; do
  trap 'set +x; set +e
	$at_job_control_off
	at_signal='"$at_signal"'
	echo stop > "$at_stop_file"
	trap "" $at_signal
	at_pgids=
	for at_pgid in `jobs -p 2>/dev/null`; do
	  at_pgids="$at_pgids $at_job_group$at_pgid"
	done
	test -z "$at_pgids" || kill -$at_signal $at_pgids 2>/dev/null
	wait
	if test "$at_jobs" -eq 1 || test -z "$at_verbose"; then
	  echo >&2
	fi
	at_signame=`kill -l $at_signal 2>&1 || echo $at_signal`
	set x $at_signame
	test 1 -gt 2 && at_signame=$at_signal
	{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: caught signal $at_signame, bailing out" >&5
$as_echo "$as_me: WARNING: caught signal $at_signame, bailing out" >&2;}
	as_fn_arith 128 + $at_signal && exit_status=$as_val
	as_fn_exit $exit_status' $at_signal
done

rm -f "$at_stop_file"
at_first=:

if test $at_jobs -ne 1 &&
     rm -f "$at_job_fifo" &&
     test -n "$at_job_group" &&
     ( mkfifo "$at_job_fifo" && trap 'exit 1' PIPE STOP TSTP ) 2>/dev/null
then
  # FIFO job dispatcher.

  trap 'at_pids=
	for at_pid in `jobs -p`; do
	  at_pids="$at_pids $at_job_group$at_pid"
	done
	if test -n "$at_pids"; then
	  at_sig=TSTP
	  test "${TMOUT+set}" = set && at_sig=STOP
	  kill -$at_sig $at_pids 2>/dev/null
	fi
	kill -STOP $$
	test -z "$at_pids" || kill -CONT $at_pids 2>/dev/null' TSTP

  echo
  # Turn jobs into a list of numbers, starting from 1.
  at_joblist=`$as_echo " $at_groups_all " | \
    sed 's/\( '$at_jobs'\) .*/\1/'`

  set X $at_joblist
  shift
  for at_group in $at_groups; do
    $at_job_control_on 2>/dev/null
    (
      # Start one test group.
      $at_job_control_off
      exec 6>"$at_job_fifo"
      trap 'set +x; set +e
	    trap "" PIPE
	    echo stop > "$at_stop_file"
	    echo token >&6
	    as_fn_exit 141' PIPE
      at_fn_group_prepare
      if cd "$at_group_dir" &&
	 at_fn_test $at_group &&
	 . "$at_test_source" # AT_JOB_FIFO_FD>&-
      then :; else
	{ $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: unable to parse test group: $at_group" >&5
$as_echo "$as_me: WARNING: unable to parse test group: $at_group" >&2;}
	at_failed=:
      fi
      at_fn_group_postprocess
      echo token >&6
    ) &
    $at_job_control_off
    if $at_first; then
      at_first=false
      exec 6<"$at_job_fifo"
    fi
    shift # Consume one token.
    if test $# -gt 0; then :; else
      read at_token <&6 || break
      set x $*
    fi
    test -f "$at_stop_file" && break
  done
  # Read back the remaining ($at_jobs - 1) tokens.
  set X $at_joblist
  shift
  if test $# -gt 0; then
    shift
    for at_job
    do
      read at_token
    done <&6
  fi
  exec 6<&-
  wait
else
  # Run serially, avoid forks and other potential surprises.
  for at_group in $at_groups; do
    at_fn_group_prepare
    if cd "$at_group_dir" &&
       at_fn_test $at_group &&
       . "$at_test_source"; then :; else
      { $as_echo "$as_me:${as_lineno-$LINENO}: WARNING: unable to parse test group: $at_group" >&5
$as_echo "$as_me: WARNING: unable to parse test group: $at_group" >&2;}
      at_failed=:
    fi
    at_fn_group_postprocess
    test -f "$at_stop_file" && break
    at_first=false
  done
fi

# Wrap up the test suite with summary statistics.
cd "$at_helper_dir"

# Use ?..???? when the list must remain sorted, the faster * otherwise.
at_pass_list=`for f in */pass; do echo $f; done | sed '/\*/d; s,/pass,,'`
at_skip_list=`for f in */skip; do echo $f; done | sed '/\*/d; s,/skip,,'`
at_xfail_list=`for f in */xfail; do echo $f; done | sed '/\*/d; s,/xfail,,'`
at_xpass_list=`for f in ?/xpass ??/xpass ???/xpass ????/xpass; do
		 echo $f; done | sed '/?/d; s,/xpass,,'`
at_fail_list=`for f in ?/fail ??/fail ???/fail ????/fail; do
		echo $f; done | sed '/?/d; s,/fail,,'`

set X $at_pass_list $at_xpass_list $at_xfail_list $at_fail_list $at_skip_list
shift; at_group_count=$#
set X $at_xpass_list; shift; at_xpass_count=$#; at_xpass_list=$*
set X $at_xfail_list; shift; at_xfail_count=$#
set X $at_fail_list; shift; at_fail_count=$#; at_fail_list=$*
set X $at_skip_list; shift; at_skip_count=$#

as_fn_arith $at_group_count - $at_skip_count && at_run_count=$as_val
as_fn_arith $at_xpass_count + $at_fail_count && at_unexpected_count=$as_val
as_fn_arith $at_xfail_count + $at_fail_count && at_total_fail_count=$as_val

# Back to the top directory.
cd "$at_dir"
rm -rf "$at_helper_dir"

# Compute the duration of the suite.
at_stop_date=`date`
at_stop_time=`date +%s 2>/dev/null`
$as_echo "$as_me: ending at: $at_stop_date" >&5
case $at_start_time,$at_stop_time in
  [0-9]*,[0-9]*)
    as_fn_arith $at_stop_time - $at_start_time && at_duration_s=$as_val
    as_fn_arith $at_duration_s / 60 && at_duration_m=$as_val
    as_fn_arith $at_duration_m / 60 && at_duration_h=$as_val
    as_fn_arith $at_duration_s % 60 && at_duration_s=$as_val
    as_fn_arith $at_duration_m % 60 && at_duration_m=$as_val
    at_duration="${at_duration_h}h ${at_duration_m}m ${at_duration_s}s"
    $as_echo "$as_me: test suite duration: $at_duration" >&5
    ;;
esac

echo
cat <<\_ASBOX
## ------------- ##
## Test results. ##
## ------------- ##
_ASBOX
echo
{
  echo
  cat <<\_ASBOX
## ------------- ##
## Test results. ##
## ------------- ##
_ASBOX
  echo
} >&5

if test $at_run_count = 1; then
  at_result="1 test"
  at_were=was
else
  at_result="$at_run_count tests"
  at_were=were
fi
if $at_errexit_p && test $at_unexpected_count != 0; then
  if test $at_xpass_count = 1; then
    at_result="$at_result $at_were run, one passed"
  else
    at_result="$at_result $at_were run, one failed"
  fi
  at_result="$at_result unexpectedly and inhibited subsequent tests."
else
  # Don't you just love exponential explosion of the number of cases?
  case $at_xpass_count:$at_fail_count:$at_xfail_count in
    # So far, so good.
    0:0:0) at_result="$at_result $at_were successful." ;;
    0:0:*) at_result="$at_result behaved as expected." ;;

    # Some unexpected failures
    0:*:0) at_result="$at_result $at_were run,
$at_fail_count failed unexpectedly." ;;

    # Some failures, both expected and unexpected
    0:*:1) at_result="$at_result $at_were run,
$at_total_fail_count failed ($at_xfail_count expected failure)." ;;
    0:*:*) at_result="$at_result $at_were run,
$at_total_fail_count failed ($at_xfail_count expected failures)." ;;

    # No unexpected failures, but some xpasses
    *:0:*) at_result="$at_result $at_were run,
$at_xpass_count passed unexpectedly." ;;

    # No expected failures, but failures and xpasses
    *:1:0) at_result="$at_result $at_were run,
$at_unexpected_count did not behave as expected ($at_fail_count unexpected failure)." ;;
    *:*:0) at_result="$at_result $at_were run,
$at_unexpected_count did not behave as expected ($at_fail_count unexpected failures)." ;;

    # All of them.
    *:*:1) at_result="$at_result $at_were run,
$at_xpass_count passed unexpectedly,
$at_total_fail_count failed ($at_xfail_count expected failure)." ;;
    *:*:*) at_result="$at_result $at_were run,
$at_xpass_count passed unexpectedly,
$at_total_fail_count failed ($at_xfail_count expected failures)." ;;
  esac

  if test $at_skip_count = 0 && test $at_run_count -gt 1; then
    at_result="All $at_result"
  fi
fi

# Now put skips in the mix.
case $at_skip_count in
  0) ;;
  1) at_result="$at_result
1 test was skipped." ;;
  *) at_result="$at_result
$at_skip_count tests were skipped." ;;
esac

if test $at_unexpected_count = 0; then
  echo "$at_result"
  echo "$at_result" >&5
else
  echo "ERROR: $at_result" >&2
  echo "ERROR: $at_result" >&5
  {
    echo
    cat <<\_ASBOX
## ------------------------ ##
## Summary of the failures. ##
## ------------------------ ##
_ASBOX

    # Summary of failed and skipped tests.
    if test $at_fail_count != 0; then
      echo "Failed tests:"
      $SHELL "$at_myself" $at_fail_list --list
      echo
    fi
    if test $at_skip_count != 0; then
      echo "Skipped tests:"
      $SHELL "$at_myself" $at_skip_list --list
      echo
    fi
    if test $at_xpass_count != 0; then
      echo "Unexpected passes:"
      $SHELL "$at_myself" $at_xpass_list --list
      echo
    fi
    if test $at_fail_count != 0; then
      cat <<\_ASBOX
## ---------------------- ##
## Detailed failed tests. ##
## ---------------------- ##
_ASBOX
      echo
      for at_group in $at_fail_list
      do
	at_group_normalized=$at_group

  eval 'while :; do
    case $at_group_normalized in #(
    '"$at_format"'*) break;;
    esac
    at_group_normalized=0$at_group_normalized
  done'

	cat "$at_suite_dir/$at_group_normalized/$as_me.log"
	echo
      done
      echo
    fi
    if test -n "$at_top_srcdir"; then
      sed 'h;s/./-/g;s/^.../## /;s/...$/ ##/;p;x;p;x' <<_ASBOX
## ${at_top_build_prefix}config.log ##
_ASBOX
      sed 's/^/| /' ${at_top_build_prefix}config.log
      echo
    fi
  } >&5

  sed 'h;s/./-/g;s/^.../## /;s/...$/ ##/;p;x;p;x' <<_ASBOX
## $as_me.log was created. ##
_ASBOX

  echo
  if $at_debug_p; then
    at_msg='per-test log files'
  else
    at_msg="\`${at_testdir+${at_testdir}/}$as_me.log'"
  fi
  $as_echo "Please send $at_msg and all information you think might help:

   To: <heber@ins.uni-bonn.de>
   Subject: [Molecuilder 1.0] $as_me: $at_fail_list${at_fail_list:+ failed${at_xpass_list:+, }}$at_xpass_list${at_xpass_list:+ passed unexpectedly}

You may investigate any problem if you feel able to do so, in which
case the test suite provides a good starting point.  Its output may
be found below \`${at_testdir+${at_testdir}/}$as_me.dir'.
"
  exit 1
fi

exit 0

## ------------- ##
## Actual tests. ##
## ------------- ##
#AT_START_1
# 1. testsuite-standard_options.at:3: Standard Options - verbosity
at_setup_line='testsuite-standard_options.at:3'
at_fn_banner 1
at_desc="Standard Options - verbosity"
at_desc_line="  1: $at_desc                   "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "1. testsuite-standard_options.at:3: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:5: pwd"
at_fn_check_prepare_trace "testsuite-standard_options.at:5"
( $at_check_trace; pwd
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
echo stdout:; cat "$at_stdout"
at_fn_check_skip $at_status "$at_srcdir/testsuite-standard_options.at:5"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:6: ../../molecuilder -v 1"
at_fn_check_prepare_trace "testsuite-standard_options.at:6"
( $at_check_trace; ../../molecuilder -v 1
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:6"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:7: fgrep olecuilder stdout"
at_fn_check_prepare_trace "testsuite-standard_options.at:7"
( $at_check_trace; fgrep olecuilder stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:7"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_1
#AT_START_2
# 2. testsuite-standard_options.at:11: Standard Options - help screen
at_setup_line='testsuite-standard_options.at:11'
at_fn_banner 1
at_desc="Standard Options - help screen"
at_desc_line="  2: $at_desc                 "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "2. testsuite-standard_options.at:11: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:13: ../../molecuilder -h"
at_fn_check_prepare_trace "testsuite-standard_options.at:13"
( $at_check_trace; ../../molecuilder -h
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:13"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:14: fgrep \"Give this help screen\" stdout"
at_fn_check_prepare_trace "testsuite-standard_options.at:14"
( $at_check_trace; fgrep "Give this help screen" stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:14"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_2
#AT_START_3
# 3. testsuite-standard_options.at:18: Standard Options - no element database
at_setup_line='testsuite-standard_options.at:18'
at_fn_banner 1
at_desc="Standard Options - no element database"
at_desc_line="  3: $at_desc         "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "3. testsuite-standard_options.at:18: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:20: ../../molecuilder -e"
at_fn_check_prepare_trace "testsuite-standard_options.at:20"
( $at_check_trace; ../../molecuilder -e
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 255 $at_status "$at_srcdir/testsuite-standard_options.at:20"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:21: fgrep \"Not enough or invalid arguments\" stderr"
at_fn_check_prepare_trace "testsuite-standard_options.at:21"
( $at_check_trace; fgrep "Not enough or invalid arguments" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:21"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_3
#AT_START_4
# 4. testsuite-standard_options.at:25: Standard Options - element database
at_setup_line='testsuite-standard_options.at:25'
at_fn_banner 1
at_desc="Standard Options - element database"
at_desc_line="  4: $at_desc            "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "4. testsuite-standard_options.at:25: testing ..."
  $at_traceon


cat >elements.db <<'_ATEOF'
#	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
#Element	Name	Symbol	Period	Group	Block	Atomic	Number	AtomicWeight	Covalent	Radius	vdW	Radius
Hydrogen	H	1	1	s	1	1.008	0.23	1.09
Helium	He	1	18	p	2	4.003	1.5	1.4
_ATEOF

{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:32: ../../molecuilder test.conf -e ./"
at_fn_check_prepare_trace "testsuite-standard_options.at:32"
( $at_check_trace; ../../molecuilder test.conf -e ./
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:32"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:33: grep -E \"Using.*as elements database.\" stdout"
at_fn_check_prepare_trace "testsuite-standard_options.at:33"
( $at_check_trace; grep -E "Using.*as elements database." stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:33"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:34: fgrep \"Element list loaded successfully.\" stdout"
at_fn_check_prepare_trace "testsuite-standard_options.at:34"
( $at_check_trace; fgrep "Element list loaded successfully." stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:34"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:35: fgrep \"Something went wrong while parsing the other databases!\" stderr"
at_fn_check_prepare_trace "testsuite-standard_options.at:35"
( $at_check_trace; fgrep "Something went wrong while parsing the other databases!" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:35"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_4
#AT_START_5
# 5. testsuite-standard_options.at:39: Standard Options - bond length table
at_setup_line='testsuite-standard_options.at:39'
at_fn_banner 1
at_desc="Standard Options - bond length table"
at_desc_line="  5: $at_desc           "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "5. testsuite-standard_options.at:39: testing ..."
  $at_traceon


cat >bondlength.db <<'_ATEOF'
# bond length database
	1	2
1	1.	0.
2	0.	0.
_ATEOF

{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:46: ../../molecuilder test.conf -g bondlength.db"
at_fn_check_prepare_trace "testsuite-standard_options.at:46"
( $at_check_trace; ../../molecuilder test.conf -g bondlength.db
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:46"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:47: grep -E \"Using.*as bond length table.\" stdout"
at_fn_check_prepare_trace "testsuite-standard_options.at:47"
( $at_check_trace; grep -E "Using.*as bond length table." stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:47"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_5
#AT_START_6
# 6. testsuite-standard_options.at:51: Standard Options - fast trajectories
at_setup_line='testsuite-standard_options.at:51'
at_fn_banner 1
at_desc="Standard Options - fast trajectories"
at_desc_line="  6: $at_desc           "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "6. testsuite-standard_options.at:51: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:53: ../../molecuilder test.conf -n"
at_fn_check_prepare_trace "testsuite-standard_options.at:53"
( $at_check_trace; ../../molecuilder test.conf -n
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:53"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:54: fgrep \"I won't parse trajectories\" stdout"
at_fn_check_prepare_trace "testsuite-standard_options.at:54"
( $at_check_trace; fgrep "I won't parse trajectories" stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:54"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_6
#AT_START_7
# 7. testsuite-standard_options.at:58: Standard Options - molecule default name
at_setup_line='testsuite-standard_options.at:58'
at_fn_banner 1
at_desc="Standard Options - molecule default name"
at_desc_line="  7: $at_desc       "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "7. testsuite-standard_options.at:58: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:60: ../../molecuilder test.conf -X test"
at_fn_check_prepare_trace "testsuite-standard_options.at:60"
( $at_check_trace; ../../molecuilder test.conf -X test
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:60"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-standard_options.at:61: fgrep \"Default name of new molecules set to test.\" stdout"
at_fn_check_prepare_trace "testsuite-standard_options.at:61"
( $at_check_trace; fgrep "Default name of new molecules set to test." stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-standard_options.at:61"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_7
#AT_START_8
# 8. testsuite-specifics.at:3: Specifics - MPQC basis
at_setup_line='testsuite-specifics.at:3'
at_fn_banner 2
at_desc="Specifics - MPQC basis"
at_desc_line="  8: $at_desc                         "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "8. testsuite-specifics.at:3: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-specifics.at:5: pwd"
at_fn_check_prepare_trace "testsuite-specifics.at:5"
( $at_check_trace; pwd
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
echo stdout:; cat "$at_stdout"
at_fn_check_skip $at_status "$at_srcdir/testsuite-specifics.at:5"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-specifics.at:6: ../../molecuilder test.conf -v 1 -M test"
at_fn_check_prepare_trace "testsuite-specifics.at:6"
( $at_check_trace; ../../molecuilder test.conf -v 1 -M test
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-specifics.at:6"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-specifics.at:7: fgrep \"Setting MPQC basis to test.\" stdout"
at_fn_check_prepare_trace "testsuite-specifics.at:7"
( $at_check_trace; fgrep "Setting MPQC basis to test." stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-specifics.at:7"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_8
#AT_START_9
# 9. testsuite-simple_configuration.at:3: Simple configuration - xyz file generation
at_setup_line='testsuite-simple_configuration.at:3'
at_fn_banner 3
at_desc="Simple configuration - xyz file generation"
at_desc_line="  9: $at_desc     "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "9. testsuite-simple_configuration.at:3: testing ..."
  $at_traceon


cat >test.xyz <<'_ATEOF'
1
 # test configuration, created by molecuilder test suite
H	10.	10.	10.
_ATEOF

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:9: file=test.xyz; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/1/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:9"
( $at_check_trace; file=test.xyz; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/1/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:9"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_9
#AT_START_10
# 10. testsuite-simple_configuration.at:13: Simple configuration - parsing xyz file
at_setup_line='testsuite-simple_configuration.at:13'
at_fn_banner 3
at_desc="Simple configuration - parsing xyz file"
at_desc_line=" 10: $at_desc        "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "10. testsuite-simple_configuration.at:13: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:15: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/2/pre/test.xyz ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:15"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/2/pre/test.xyz .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:15"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:16: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -p test.xyz"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:16"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -p test.xyz
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:16"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:17: fgrep \"Ion_Type1_1\" test.conf"
at_fn_check_prepare_trace "testsuite-simple_configuration.at:17"
( $at_check_trace; fgrep "Ion_Type1_1" test.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo >>"$at_stdout"; $as_echo "Ion_Type1_1	10.000000000	10.000000000	10.000000000	0 # molecule nr 0
" | \
  $at_diff - "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:17"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:19: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/2/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:19"
( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:19"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:20: file=test.conf.in; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/2/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:20"
( $at_check_trace; file=test.conf.in; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:20"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$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"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:21"
( $at_check_trace; file=test.conf.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:21"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_10
#AT_START_11
# 11. testsuite-simple_configuration.at:25: Simple configuration - adding atom
at_setup_line='testsuite-simple_configuration.at:25'
at_fn_banner 3
at_desc="Simple configuration - adding atom"
at_desc_line=" 11: $at_desc             "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "11. testsuite-simple_configuration.at:25: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:27: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -a 1 10. 10. 10."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:27"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -a 1 10. 10. 10.
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:27"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:28: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/3/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:28"
( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/3/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:28"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:29: file=test.conf.in; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/3/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:29"
( $at_check_trace; file=test.conf.in; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/3/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:29"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$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"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:30"
( $at_check_trace; file=test.conf.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/3/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:30"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_11
#AT_START_12
# 12. testsuite-simple_configuration.at:34: Simple configuration - Changing element
at_setup_line='testsuite-simple_configuration.at:34'
at_fn_banner 3
at_desc="Simple configuration - Changing element"
at_desc_line=" 12: $at_desc        "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "12. testsuite-simple_configuration.at:34: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:36: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/4/pre/test.conf test.conf"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:36"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/4/pre/test.conf test.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:36"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:37: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -E 0 6"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:37"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -E 0 6
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:37"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:38: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/4/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:38"
( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/4/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:38"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_12
#AT_START_13
# 13. testsuite-simple_configuration.at:42: Simple configuration - Atom removal
at_setup_line='testsuite-simple_configuration.at:42'
at_fn_banner 3
at_desc="Simple configuration - Atom removal"
at_desc_line=" 13: $at_desc            "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "13. testsuite-simple_configuration.at:42: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:44: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/5/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:44"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/5/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:44"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:45: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -r 0"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:45"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -r 0
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:45"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:46: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/5/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:46"
( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/5/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:46"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:47: file=test.conf.in; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/5/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:47"
( $at_check_trace; file=test.conf.in; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/5/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:47"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$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"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:48"
( $at_check_trace; file=test.conf.xyz; diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/5/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:48"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_13
#AT_START_14
# 14. testsuite-simple_configuration.at:52: Simple configuration - invalid commands on empty configs
at_setup_line='testsuite-simple_configuration.at:52'
at_fn_banner 3
at_desc="Simple configuration - invalid commands on empty configs"
at_desc_line=" 14: $at_desc"
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "14. testsuite-simple_configuration.at:52: testing ..."
  $at_traceon


{ set +x
$as_echo "$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"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:54"
( $at_check_trace; ../../molecuilder empty.conf -e ${abs_top_srcdir}/src/ -t -s -b -E -c -b -a -U -T -u
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:54"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:55: fgrep -c \"Not enough or invalid\" stderr"
at_fn_check_prepare_trace "testsuite-simple_configuration.at:55"
( $at_check_trace; fgrep -c "Not enough or invalid" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo >>"$at_stdout"; $as_echo "1
" | \
  $at_diff - "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:55"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_14
#AT_START_15
# 15. testsuite-simple_configuration.at:60: Simple configuration - invalid commands on present configs
at_setup_line='testsuite-simple_configuration.at:60'
at_fn_banner 3
at_desc="Simple configuration - invalid commands on present configs"
at_desc_line=" 15: $at_desc"
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "15. testsuite-simple_configuration.at:60: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:62: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/7/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:62"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/7/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:62"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:63: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -t"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:63"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -t
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:63"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:64: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
at_fn_check_prepare_trace "testsuite-simple_configuration.at:64"
( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:64"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:65: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -s -b -E -c -b -a -U -T -u"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:65"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -s -b -E -c -b -a -U -T -u
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:65"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:66: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
at_fn_check_prepare_trace "testsuite-simple_configuration.at:66"
( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:66"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:67: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -b -E -c -b -a -U -T -u"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:67"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -b -E -c -b -a -U -T -u
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:67"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:68: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
at_fn_check_prepare_trace "testsuite-simple_configuration.at:68"
( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:68"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:69: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -E -c -b -a -U -T -u"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:69"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -E -c -b -a -U -T -u
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:69"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:70: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
at_fn_check_prepare_trace "testsuite-simple_configuration.at:70"
( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:70"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:71: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -c -b -a -U -T -u"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:71"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -c -b -a -U -T -u
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:71"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:72: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
at_fn_check_prepare_trace "testsuite-simple_configuration.at:72"
( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:72"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:73: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -b -a -U -T -u"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:73"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -b -a -U -T -u
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:73"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:74: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
at_fn_check_prepare_trace "testsuite-simple_configuration.at:74"
( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:74"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:75: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -a -U -T -u"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:75"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -a -U -T -u
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:75"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:76: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
at_fn_check_prepare_trace "testsuite-simple_configuration.at:76"
( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:76"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:77: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -U -T -u"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:77"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -U -T -u
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:77"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:78: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
at_fn_check_prepare_trace "testsuite-simple_configuration.at:78"
( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:78"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:79: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -T -u"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:79"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -T -u
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:79"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:80: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
at_fn_check_prepare_trace "testsuite-simple_configuration.at:80"
( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:80"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:81: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -u"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:81"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -u
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 255 $at_status "$at_srcdir/testsuite-simple_configuration.at:81"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:82: fgrep -c \"CRITICAL: Not enough or invalid\" stderr"
at_fn_check_prepare_trace "testsuite-simple_configuration.at:82"
( $at_check_trace; fgrep -c "CRITICAL: Not enough or invalid" stderr
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:82"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_15
#AT_START_16
# 16. testsuite-simple_configuration.at:86: Simple configuration - BROKEN: Removing sphere of atoms
at_setup_line='testsuite-simple_configuration.at:86'
at_fn_banner 3
at_desc="Simple configuration - BROKEN: Removing sphere of atoms"
at_desc_line=" 16: $at_desc"
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "16. testsuite-simple_configuration.at:86: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:88: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/8/pre/test.* ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:88"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/8/pre/test.* .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:88"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:89: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -R 2 7."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:89"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -R 2 7.
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 134 $at_status "$at_srcdir/testsuite-simple_configuration.at:89"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-simple_configuration.at:90: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Simple_configuration/8/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-simple_configuration.at:90"
( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Simple_configuration/8/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-simple_configuration.at:90"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_16
#AT_START_17
# 17. testsuite-domain.at:3: Domain - defining simulation domain
at_setup_line='testsuite-domain.at:3'
at_fn_banner 4
at_desc="Domain - defining simulation domain"
at_desc_line=" 17: $at_desc            "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "17. testsuite-domain.at:3: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:5: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -B 10 0 10 0 0 10"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:5"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -B 10 0 10 0 0 10
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:5"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:6: fgrep \"BoxLength\" test.conf"
at_fn_check_prepare_trace "testsuite-domain.at:6"
( $at_check_trace; fgrep "BoxLength" test.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:6"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:7: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/1/post/test.conf"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:7"
( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/1/post/test.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:7"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_17
#AT_START_18
# 18. testsuite-domain.at:11: Domain - setting and centering in domain
at_setup_line='testsuite-domain.at:11'
at_fn_banner 4
at_desc="Domain - setting and centering in domain"
at_desc_line=" 18: $at_desc       "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "18. testsuite-domain.at:11: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/2/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:13"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/2/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:13"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -b 15 0 15 0 0 15"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:14"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -b 15 0 15 0 0 15
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:14"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:15: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/2/post/test.conf"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:15"
( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/2/post/test.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:15"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_18
#AT_START_19
# 19. testsuite-domain.at:19: Domain - centering with defined boundary
at_setup_line='testsuite-domain.at:19'
at_fn_banner 4
at_desc="Domain - centering with defined boundary"
at_desc_line=" 19: $at_desc       "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "19. testsuite-domain.at:19: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:21: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/3/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:21"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/3/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:21"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:22: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -c 5 10 15"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:22"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -c 5 10 15
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:22"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:23: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/3/post/test.conf"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:23"
( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/3/post/test.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:23"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_19
#AT_START_20
# 20. testsuite-domain.at:27: Domain - centering and setting domain
at_setup_line='testsuite-domain.at:27'
at_fn_banner 4
at_desc="Domain - centering and setting domain"
at_desc_line=" 20: $at_desc          "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "20. testsuite-domain.at:27: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:29: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/4/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:29"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/4/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:29"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:30: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -O"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:30"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -O
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:30"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:31: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/4/post/test.conf"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:31"
( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/4/post/test.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:31"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_20
#AT_START_21
# 21. testsuite-domain.at:35: Domain - scaling box
at_setup_line='testsuite-domain.at:35'
at_fn_banner 4
at_desc="Domain - scaling box"
at_desc_line=" 21: $at_desc                           "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "21. testsuite-domain.at:35: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:37: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/5/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:37"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/5/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:37"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:38: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -s 0.5 1. 0.9"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:38"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -s 0.5 1. 0.9
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:38"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:39: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/5/post/test.conf"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:39"
( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/5/post/test.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:39"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_21
#AT_START_22
# 22. testsuite-domain.at:43: Domain - duplicating box
at_setup_line='testsuite-domain.at:43'
at_fn_banner 4
at_desc="Domain - duplicating box"
at_desc_line=" 22: $at_desc                       "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "22. testsuite-domain.at:43: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:45: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:45"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:45"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:46: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -d 1 1 1"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:46"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -d 1 1 1
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:46"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:47: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/post/test.conf"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:47"
( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/post/test.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:47"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:48: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:48"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:48"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:49: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -d 2 1 1"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:49"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -d 2 1 1
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:49"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:50: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/post/test-x.conf"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:50"
( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/post/test-x.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:50"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:51: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:51"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:51"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:52: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -d 1 2 1"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:52"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -d 1 2 1
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:52"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:53: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/post/test-y.conf"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:53"
( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/post/test-y.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:53"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:54: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:54"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:54"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:55: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -d 1 1 2"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:55"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -d 1 1 2
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:55"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-domain.at:56: diff test.conf \${abs_top_srcdir}/\${AUTOTEST_PATH}/Domain/6/post/test-z.conf"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-domain.at:56"
( $at_check_trace; diff test.conf ${abs_top_srcdir}/${AUTOTEST_PATH}/Domain/6/post/test-z.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-domain.at:56"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_22
#AT_START_23
# 23. testsuite-graph.at:3: Graph - DFS analysis
at_setup_line='testsuite-graph.at:3'
at_fn_banner 5
at_desc="Graph - DFS analysis"
at_desc_line=" 23: $at_desc                           "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "23. testsuite-graph.at:3: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-graph.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Graph/1/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-graph.at:5"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Graph/1/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:5"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-graph.at:6: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -D 2."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-graph.at:6"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -D 2.
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:6"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-graph.at:7: fgrep -c \"No rings were detected in the molecular structure.\" stdout"
at_fn_check_prepare_trace "testsuite-graph.at:7"
( $at_check_trace; fgrep -c "No rings were detected in the molecular structure." stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo >>"$at_stdout"; $as_echo "1
" | \
  $at_diff - "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:7"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_23
#AT_START_24
# 24. testsuite-graph.at:11: Graph - subgraph dissection
at_setup_line='testsuite-graph.at:11'
at_fn_banner 5
at_desc="Graph - subgraph dissection"
at_desc_line=" 24: $at_desc                    "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "24. testsuite-graph.at:11: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-graph.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Graph/2/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-graph.at:13"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Graph/2/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:13"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-graph.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -I"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-graph.at:14"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -I
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:14"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-graph.at:15: fgrep \"I scanned 31 molecules.\" stdout"
at_fn_check_prepare_trace "testsuite-graph.at:15"
( $at_check_trace; fgrep "I scanned 31 molecules." stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-graph.at:15"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_24
#AT_START_25
# 25. testsuite-molecules.at:3: Molecules - Bonds from file
at_setup_line='testsuite-molecules.at:3'
at_fn_banner 6
at_desc="Molecules - Bonds from file"
at_desc_line=" 25: $at_desc                    "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "25. testsuite-molecules.at:3: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/1/pre/test.* ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:5"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/1/pre/test.* .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:5"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:6: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 4 -A test.dbond"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:6"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 4 -A test.dbond
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:6"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:7: fgrep \"Looking for atoms 2 and 9.\" stdout"
at_fn_check_prepare_trace "testsuite-molecules.at:7"
( $at_check_trace; fgrep "Looking for atoms 2 and 9." stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:7"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_25
#AT_START_26
# 26. testsuite-molecules.at:11: Molecules - Storing bond info
at_setup_line='testsuite-molecules.at:11'
at_fn_banner 6
at_desc="Molecules - Storing bond info"
at_desc_line=" 26: $at_desc                  "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "26. testsuite-molecules.at:11: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/2/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:13"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/2/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:13"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 1 -j test.dbond"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:14"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 1 -j test.dbond
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:14"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:15: file=test.dbond; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/2/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:15"
( $at_check_trace; file=test.dbond; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:15"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:16: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 1 -J test.adj"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:16"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 1 -J test.adj
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:16"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:17: file=test.adj; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/2/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:17"
( $at_check_trace; file=test.adj; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:17"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_26
#AT_START_27
# 27. testsuite-molecules.at:21: Molecules - Storing temperature
at_setup_line='testsuite-molecules.at:21'
at_fn_banner 6
at_desc="Molecules - Storing temperature"
at_desc_line=" 27: $at_desc                "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "27. testsuite-molecules.at:21: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:23: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/3/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:23"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/3/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:23"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:24: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -S test.ekin"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:24"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -S test.ekin
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:24"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:25: file=test.ekin; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/3/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:25"
( $at_check_trace; file=test.ekin; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/3/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:25"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_27
#AT_START_28
# 28. testsuite-molecules.at:29: Molecules - BROKEN: Linear interpolation
at_setup_line='testsuite-molecules.at:29'
at_fn_banner 6
at_desc="Molecules - BROKEN: Linear interpolation"
at_desc_line=" 28: $at_desc       "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "28. testsuite-molecules.at:29: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:31: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/4/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:31"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/4/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:31"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:32: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -L 0 1 teststep 1"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:32"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -L 0 1 teststep 1
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:32"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_28
#AT_START_29
# 29. testsuite-molecules.at:36: Molecules - BROKEN: Verlet force integration
at_setup_line='testsuite-molecules.at:36'
at_fn_banner 6
at_desc="Molecules - BROKEN: Verlet force integration"
at_desc_line=" 29: $at_desc   "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "29. testsuite-molecules.at:36: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:38: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/5/pre/test.* ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:38"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/5/pre/test.* .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:38"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:39: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -P test.forces"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:39"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -P test.forces
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 134 $at_status "$at_srcdir/testsuite-molecules.at:39"
$at_failed && at_fn_log_failure
$at_traceon; }

#AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/5/post/$file], 0, [ignore], [ignore])
  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_29
#AT_START_30
# 30. testsuite-molecules.at:44: Molecules - Translation
at_setup_line='testsuite-molecules.at:44'
at_fn_banner 6
at_desc="Molecules - Translation"
at_desc_line=" 30: $at_desc                        "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "30. testsuite-molecules.at:44: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:46: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/6/pre/test.* ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:46"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/6/pre/test.* .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:46"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:47: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -t 1. 1. 1."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:47"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -t 1. 1. 1.
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:47"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:48: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/6/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:48"
( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/6/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:48"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_30
#AT_START_31
# 31. testsuite-molecules.at:52: Molecules - Periodic translation
at_setup_line='testsuite-molecules.at:52'
at_fn_banner 6
at_desc="Molecules - Periodic translation"
at_desc_line=" 31: $at_desc               "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "31. testsuite-molecules.at:52: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:54: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/7/pre/test.* ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:54"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/7/pre/test.* .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:54"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:55: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -T 12. 12. 12."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:55"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -T 12. 12. 12.
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:55"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:56: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/7/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:56"
( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/7/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:56"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_31
#AT_START_32
# 32. testsuite-molecules.at:60: Molecules - BROKEN: Rotate to PAS
at_setup_line='testsuite-molecules.at:60'
at_fn_banner 6
at_desc="Molecules - BROKEN: Rotate to PAS"
at_desc_line=" 32: $at_desc              "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "32. testsuite-molecules.at:60: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:62: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Molecules/8/pre/test.* ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:62"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/8/pre/test.* .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:62"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-molecules.at:63: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -m 1"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-molecules.at:63"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -m 1
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-molecules.at:63"
$at_failed && at_fn_log_failure
$at_traceon; }

#AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/8/post/$file], 0, [ignore], [ignore])
  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_32
#AT_START_33
# 33. testsuite-fragmentation.at:3: Fragmentation - Checking present config
at_setup_line='testsuite-fragmentation.at:3'
at_fn_banner 7
at_desc="Fragmentation - Checking present config"
at_desc_line=" 33: $at_desc        "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "33. testsuite-fragmentation.at:3: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-fragmentation.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Fragmentation/1/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:5"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/1/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:5"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-fragmentation.at:6: fgrep \"Ion_Type1_4\" test.conf"
at_fn_check_prepare_trace "testsuite-fragmentation.at:6"
( $at_check_trace; fgrep "Ion_Type1_4" test.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo >>"$at_stdout"; $as_echo "Ion_Type1_4	8.532785963	4.787886018	2.645886050	0 # molecule nr 6
" | \
  $at_diff - "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:6"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-fragmentation.at:8: fgrep \"Ion_Type2_4\" test.conf"
at_fn_check_prepare_trace "testsuite-fragmentation.at:8"
( $at_check_trace; fgrep "Ion_Type2_4" test.conf
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 1 $at_status "$at_srcdir/testsuite-fragmentation.at:8"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_33
#AT_START_34
# 34. testsuite-fragmentation.at:12: Fragmentation - Fragmentation
at_setup_line='testsuite-fragmentation.at:12'
at_fn_banner 7
at_desc="Fragmentation - Fragmentation"
at_desc_line=" 34: $at_desc                  "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "34. testsuite-fragmentation.at:12: testing ..."
  $at_traceon

{ set +x
$as_echo "$at_srcdir/testsuite-fragmentation.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Fragmentation/2/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:13"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/2/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:13"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-fragmentation.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -f 1.55 2"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:14"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -f 1.55 2
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:14"
if $at_failed; then :
  mkdir std; mv BondFragment*.conf* std/
fi
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-fragmentation.at:15: mkdir std; mv BondFragment*.conf* std/"
at_fn_check_prepare_trace "testsuite-fragmentation.at:15"
( $at_check_trace; mkdir std; mv BondFragment*.conf* std/
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:15"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-fragmentation.at:16: ls -l std/BondFragment*.conf | wc -l"
at_fn_check_prepare_trace "testsuite-fragmentation.at:16"
( $at_check_trace; ls -l std/BondFragment*.conf | wc -l
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo >>"$at_stdout"; $as_echo "5
" | \
  $at_diff - "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:16"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_34
#AT_START_35
# 35. testsuite-fragmentation.at:21: Fragmentation - Fragmentation is at MaxOrder
at_setup_line='testsuite-fragmentation.at:21'
at_fn_banner 7
at_desc="Fragmentation - Fragmentation is at MaxOrder"
at_desc_line=" 35: $at_desc   "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "35. testsuite-fragmentation.at:21: testing ..."
  $at_traceon

{ set +x
$as_echo "$at_srcdir/testsuite-fragmentation.at:22: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Fragmentation/3/pre/* ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:22"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Fragmentation/3/pre/* .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:22"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-fragmentation.at:23: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -f 1.55 2"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-fragmentation.at:23"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -f 1.55 2
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 2 $at_status "$at_srcdir/testsuite-fragmentation.at:23"
if $at_failed; then :
  mkdir new; mv BondFragment*.conf* new/
fi
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-fragmentation.at:24: mkdir new; mv BondFragment*.conf* new/"
at_fn_check_prepare_trace "testsuite-fragmentation.at:24"
( $at_check_trace; mkdir new; mv BondFragment*.conf* new/
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-fragmentation.at:24"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_35
#AT_START_36
# 36. testsuite-tesselation.at:3: Tesselation - Non-Convex Envelope
at_setup_line='testsuite-tesselation.at:3'
at_fn_banner 8
at_desc="Tesselation - Non-Convex Envelope"
at_desc_line=" 36: $at_desc              "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "36. testsuite-tesselation.at:3: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/1/pre/* ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:5"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/1/pre/* .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:5"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:6: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:6"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:6"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:7: file=NonConvexEnvelope.dat; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/1/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:7"
( $at_check_trace; file=NonConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/1/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:7"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:8: file=NonConvexEnvelope.r3d; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/1/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:8"
( $at_check_trace; file=NonConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/1/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:8"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_36
#AT_START_37
# 37. testsuite-tesselation.at:12: Tesselation - Convex Envelope
at_setup_line='testsuite-tesselation.at:12'
at_fn_banner 8
at_desc="Tesselation - Convex Envelope"
at_desc_line=" 37: $at_desc                  "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "37. testsuite-tesselation.at:12: testing ..."
  $at_traceon

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:13: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/2/pre/* ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:13"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/2/pre/* .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:13"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:14: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -o ConvexEnvelope NonConvexEnvelope"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:14"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -o ConvexEnvelope NonConvexEnvelope
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:14"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:15: file=ConvexEnvelope.dat; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/2/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:15"
( $at_check_trace; file=ConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:15"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:16: file=ConvexEnvelope.r3d; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/2/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:16"
( $at_check_trace; file=ConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:16"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:17: fgrep \"tesselated volume area is 16.4016 angstrom^3\" stdout"
at_fn_check_prepare_trace "testsuite-tesselation.at:17"
( $at_check_trace; fgrep "tesselated volume area is 16.4016 angstrom^3" stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:17"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:18: diff ConvexEnvelope.dat NonConvexEnvelope.dat"
at_fn_check_prepare_trace "testsuite-tesselation.at:18"
( $at_check_trace; diff ConvexEnvelope.dat NonConvexEnvelope.dat
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:18"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_37
#AT_START_38
# 38. testsuite-tesselation.at:22: Tesselation - Big non-Convex Envelope
at_setup_line='testsuite-tesselation.at:22'
at_fn_banner 8
at_desc="Tesselation - Big non-Convex Envelope"
at_desc_line=" 38: $at_desc          "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "38. testsuite-tesselation.at:22: testing ..."
  $at_traceon

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:23: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/3/pre/* ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:23"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/3/pre/* .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:23"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:24: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:24"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -N 4. NonConvexEnvelope
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:24"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:25: file=NonConvexEnvelope.dat; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/3/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:25"
( $at_check_trace; file=NonConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/3/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:25"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-tesselation.at:26: file=NonConvexEnvelope.r3d; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Tesselation/3/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-tesselation.at:26"
( $at_check_trace; file=NonConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/3/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-tesselation.at:26"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_38
#AT_START_39
# 39. testsuite-filling.at:3: Filling - filling empty box
at_setup_line='testsuite-filling.at:3'
at_fn_banner 9
at_desc="Filling - filling empty box"
at_desc_line=" 39: $at_desc                    "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "39. testsuite-filling.at:3: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-filling.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Filling/1/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:5"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/1/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:5"
$at_failed && at_fn_log_failure
$at_traceon; }

cat >water.xyz <<'_ATEOF'
3
 # test configuration, created by molecuilder test suite
O       0.      0.      0.
H       0.758602 0.     0.504284
H       0.758602 0.     -0.504284
_ATEOF

{ set +x
$as_echo "$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"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:12"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -F water.xyz 3.1 3.1 3.1 2.1 0. 0. 0
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:12"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-filling.at:13: file=test.conf; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Filling/1/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:13"
( $at_check_trace; file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/1/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:13"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_39
#AT_START_40
# 40. testsuite-filling.at:17: Filling - BROKEN: suspend in water
at_setup_line='testsuite-filling.at:17'
at_fn_banner 9
at_desc="Filling - BROKEN: suspend in water"
at_desc_line=" 40: $at_desc             "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "40. testsuite-filling.at:17: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-filling.at:19: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Filling/2/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:19"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/2/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:19"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-filling.at:20: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -u 1.3"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-filling.at:20"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -u 1.3
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-filling.at:20"
$at_failed && at_fn_log_failure
$at_traceon; }

#AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Filling/2/post/$file], 0, [ignore], [ignore])
  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_40
#AT_START_41
# 41. testsuite-analysis.at:3: Analysis - pair correlation
at_setup_line='testsuite-analysis.at:3'
at_fn_banner 10
at_desc="Analysis - pair correlation"
at_desc_line=" 41: $at_desc                    "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "41. testsuite-analysis.at:3: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:5: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/1/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:5"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/1/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:5"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$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"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:6"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C E 1 8 output.csv bin_output.csv 0 20
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:6"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:7: fgrep \"Begin of PairCorrelation\" stdout"
at_fn_check_prepare_trace "testsuite-analysis.at:7"
( $at_check_trace; fgrep "Begin of PairCorrelation" stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:7"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:8: file=output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/1/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:8"
( $at_check_trace; file=output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/1/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:8"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:9: file=bin_output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/1/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:9"
( $at_check_trace; file=bin_output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/1/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:9"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_41
#AT_START_42
# 42. testsuite-analysis.at:13: Analysis - pair correlation range test
at_setup_line='testsuite-analysis.at:13'
at_fn_banner 10
at_desc="Analysis - pair correlation range test"
at_desc_line=" 42: $at_desc         "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "42. testsuite-analysis.at:13: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:15: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:15"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:15"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$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"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:16"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-5.csv bin_output-5.csv 0 5
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:16"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:17: file=output-5.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:17"
( $at_check_trace; file=output-5.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:17"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:18: file=bin_output-5.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:18"
( $at_check_trace; file=bin_output-5.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:18"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$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"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:19"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-10.csv bin_output-10.csv 5 10
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:19"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:20: file=output-10.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:20"
( $at_check_trace; file=output-10.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:20"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:21: file=bin_output-10.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:21"
( $at_check_trace; file=bin_output-10.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:21"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$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"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:22"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C E 1 8 output-20.csv bin_output-20.csv 10 20
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:22"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:23: file=output-20.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:23"
( $at_check_trace; file=output-20.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:23"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:24: file=bin_output-20.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/2/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:24"
( $at_check_trace; file=bin_output-20.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/2/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:24"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_42
#AT_START_43
# 43. testsuite-analysis.at:28: Analysis - point correlation
at_setup_line='testsuite-analysis.at:28'
at_fn_banner 10
at_desc="Analysis - point correlation"
at_desc_line=" 43: $at_desc                   "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "43. testsuite-analysis.at:28: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:30: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/3/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:30"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/3/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:30"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$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"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:31"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -C P 1 10. 10. 10. output.csv bin_output.csv 0 20
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:31"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:32: fgrep \"Begin of CorrelationToPoint\" stdout"
at_fn_check_prepare_trace "testsuite-analysis.at:32"
( $at_check_trace; fgrep "Begin of CorrelationToPoint" stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:32"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:33: file=output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/3/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:33"
( $at_check_trace; file=output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/3/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:33"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:34: file=bin_output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/3/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:34"
( $at_check_trace; file=bin_output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/3/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:34"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_43
#AT_START_44
# 44. testsuite-analysis.at:38: Analysis - surface correlation
at_setup_line='testsuite-analysis.at:38'
at_fn_banner 10
at_desc="Analysis - surface correlation"
at_desc_line=" 44: $at_desc                 "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "44. testsuite-analysis.at:38: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:40: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/4/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:40"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/4/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:40"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$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"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:41"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -I -C S 1 output.csv bin_output.csv 1. 0 20
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:41"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:42: fgrep \"Begin of CorrelationToSurface\" stdout"
at_fn_check_prepare_trace "testsuite-analysis.at:42"
( $at_check_trace; fgrep "Begin of CorrelationToSurface" stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:42"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:43: file=output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/4/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:43"
( $at_check_trace; file=output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/4/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:43"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:44: file=bin_output.csv; diff \$file \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/4/post/\$file"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:44"
( $at_check_trace; file=bin_output.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/4/post/$file
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:44"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_44
#AT_START_45
# 45. testsuite-analysis.at:48: Analysis - principal axis system
at_setup_line='testsuite-analysis.at:48'
at_fn_banner 10
at_desc="Analysis - principal axis system"
at_desc_line=" 45: $at_desc               "
$at_quiet $as_echo_n "$at_desc_line"
at_xfail=no
echo "#                             -*- compilation -*-" >> "$at_group_log"
(
  $as_echo "45. testsuite-analysis.at:48: testing ..."
  $at_traceon


{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:50: /bin/cp -f \${abs_top_srcdir}/\${AUTOTEST_PATH}/Analysis/5/pre/test.conf ."
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:50"
( $at_check_trace; /bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/5/pre/test.conf .
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
at_fn_diff_devnull "$at_stderr" || at_failed=:
at_fn_diff_devnull "$at_stdout" || at_failed=:
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:50"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:51: ../../molecuilder test.conf -e \${abs_top_srcdir}/src/ -v 3 -m 0"
at_fn_check_prepare_notrace 'a ${...} parameter expansion' "testsuite-analysis.at:51"
( $at_check_trace; ../../molecuilder test.conf -e ${abs_top_srcdir}/src/ -v 3 -m 0
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; tee stderr <"$at_stderr"
echo stdout:; tee stdout <"$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:51"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:52: fgrep \"eigenvalue = 4382.53,\" stdout"
at_fn_check_prepare_trace "testsuite-analysis.at:52"
( $at_check_trace; fgrep "eigenvalue = 4382.53," stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:52"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:53: fgrep \"eigenvalue = 4369.24,\" stdout"
at_fn_check_prepare_trace "testsuite-analysis.at:53"
( $at_check_trace; fgrep "eigenvalue = 4369.24," stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:53"
$at_failed && at_fn_log_failure
$at_traceon; }

{ set +x
$as_echo "$at_srcdir/testsuite-analysis.at:54: fgrep \"eigenvalue = 28.9359,\" stdout"
at_fn_check_prepare_trace "testsuite-analysis.at:54"
( $at_check_trace; fgrep "eigenvalue = 28.9359," stdout
) >>"$at_stdout" 2>>"$at_stderr"
at_status=$? at_failed=false
$at_check_filter
echo stderr:; cat "$at_stderr"
echo stdout:; cat "$at_stdout"
at_fn_check_status 0 $at_status "$at_srcdir/testsuite-analysis.at:54"
$at_failed && at_fn_log_failure
$at_traceon; }

  set +x
  $at_times_p && times >"$at_times_file"
) 5>&1 2>&1 | eval $at_tee_pipe
read at_status <"$at_status_file"
#AT_STOP_45