ForceAnnealing_goodresults
        ForceAnnealing_tocheck
      
      
        
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            Last change
 on this file since 5f869d7 was             c015b3, checked in by Frederik Heber <heber@…>, 14 years ago           | 
        
        
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Added enable-switches for Qt-based GUI and python module and scripts. 
 
- note that encapsulation in AS_IF is absolutely required as otherwise
lateron checks will produce strange errors as required checks reside
in an unseen if ..; then branch, initiated by AC_PROG() ... or other
contained macros.
 - Added AM_CONDITIIONAL's to modify Makefile.ams depending on above enable
switches.
 - AM_COND_IF controls whether certain Makefile's are produced or not.
 - moved Python regression tests into own folder to control whether they
are executed or not.
 - molecuildergui and libMolecuilderQtUI are only compiled with qtgui
enabled.
 - same for pyMoleCuilder and its scripts only when python enabled.
  
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Property                 mode
 set to                 
100755
               
             
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            File size:
            1.4 KB
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| 1 | #!/bin/bash
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| 2 | 
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| 3 | if [ -z $1 ]; then
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| 4 |         echo "Usage: $0 <output file>"
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| 5 |         exit 1
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| 6 | fi
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| 7 | 
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| 8 | OUTPUT=$1
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| 9 | 
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| 10 | rm -f $OUTPUT.temp
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| 11 | 
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| 12 | liste=(`cat <missing_sorted.dat`)
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| 13 | 
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| 14 | check=()
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| 15 | i=0
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| 16 | while [ $i -lt ${#liste[*]} ]; do
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| 17 |         check[$i]=0
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| 18 |         ((i+=1))
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| 19 | done
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| 20 | 
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| 21 | OLDIFS=$IFS
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| 22 | IFS='
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| 23 | '
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| 24 | for line in `find . -name '*.at' -exec grep molecuilder {} \;`; do 
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| 25 |         call=`echo $line | awk -F"/molecuilder" '{print $2}' | awk -F"]" '{print $1}'`
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| 26 |         #echo "call is $call"   
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| 27 |         i=0
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| 28 |         while [ $i -lt ${#liste[*]} ]; do
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| 29 |                 #echo "Looking for ${liste[$i]} ..."
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| 30 |                 if [ ! -z `echo $call | grep ${liste[$i]}` ]; then
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| 31 |                 opts=`echo $call | awk -F"--${liste[$i]} " {'print $2'}`
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| 32 |                 if [ ! -z $opts ]; then
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| 33 |                         echo "opts is $opts"    
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| 34 |                         value=`echo $opts | awk -F" -" {'print $1'} | awk -F"]" '{print $1}' | awk -F"--" {'print $1'}`
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| 35 |                         value2=`echo $value | awk -F"\"" '{print $2}'`
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| 36 |                         if [ ! -z $value2 ]; then
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| 37 |                                 value=$value2
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| 38 |                         fi
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| 39 |                         if [ -z $value ]; then
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| 40 |                                 echo "Found an option ${liste[$i]} with no value."
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| 41 |                                 echo -e "${liste[$i]}\t\"\"" >>$OUTPUT.temp
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| 42 |                         else
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| 43 |                                 echo "Found an option ${liste[$i]} with value $value."
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| 44 |                                 echo -e "${liste[$i]}\t\"$value\"" >>$OUTPUT.temp
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| 45 |                         fi
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| 46 |                         check[$i]=1
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| 47 |                 fi
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| 48 |                 fi
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| 49 |                 ((i+=1))
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| 50 |         done
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| 51 | done
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| 52 | IFS=$OLDIFS
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| 53 | 
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| 54 | # output empty defaults for values not found
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| 55 | i=0
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| 56 | while [ $i -lt ${#liste[*]} ]; do
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| 57 |         if [ ${check[$i]} -eq 0 ]; then
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| 58 |                 echo -e "${liste[$i]}\t\"\"" >>$OUTPUT.temp
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| 59 |         fi
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| 60 |         ((i+=1))
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| 61 | done
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| 62 | 
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| 63 | echo -e "#key\tvalue" >$OUTPUT
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| 64 | sort $OUTPUT.temp | uniq >>$OUTPUT
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| 65 | 
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| 66 | 
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