source: tests/Python/AllActions/getPossibleOptions.sh@ 2db053

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Added_ParseSaveFragmentResults AddingActions_SaveParseParticleParameters Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_ParticleName_to_Atom Adding_StructOpt_integration_tests AtomFragments Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator CombiningParticlePotentialParsing Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_BoundInBox_CenterInBox_MoleculeActions Fix_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_PopActions Fix_QtFragmentList_sorted_selection Fix_Restrictedkeyset_FragmentMolecule Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns Fix_fitting_potentials Fixes ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion FragmentAction_writes_AtomFragments FragmentMolecule_checks_bonddegrees GeometryObjects Gui_Fixes Gui_displays_atomic_force_velocity ImplicitCharges IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix MoreRobust_FragmentAutomation ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PdbParser_setsAtomName PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks Rewrite_FitPartialCharges RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching SaturateAtoms_singleDegree StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg Switchable_LogView ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps TremoloParser_setsAtomName Ubuntu_1604_changes stable
Last change on this file since 2db053 was c015b3, checked in by Frederik Heber <heber@…>, 13 years ago

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.
  • Property mode set to 100755
File size: 1.4 KB
Line 
1#!/bin/bash
2
3if [ -z $1 ]; then
4 echo "Usage: $0 <output file>"
5 exit 1
6fi
7
8OUTPUT=$1
9
10rm -f $OUTPUT.temp
11
12liste=(`cat <missing_sorted.dat`)
13
14check=()
15i=0
16while [ $i -lt ${#liste[*]} ]; do
17 check[$i]=0
18 ((i+=1))
19done
20
21OLDIFS=$IFS
22IFS='
23'
24for line in `find . -name '*.at' -exec grep molecuilder {} \;`; do
25 call=`echo $line | awk -F"/molecuilder" '{print $2}' | awk -F"]" '{print $1}'`
26 #echo "call is $call"
27 i=0
28 while [ $i -lt ${#liste[*]} ]; do
29 #echo "Looking for ${liste[$i]} ..."
30 if [ ! -z `echo $call | grep ${liste[$i]}` ]; then
31 opts=`echo $call | awk -F"--${liste[$i]} " {'print $2'}`
32 if [ ! -z $opts ]; then
33 echo "opts is $opts"
34 value=`echo $opts | awk -F" -" {'print $1'} | awk -F"]" '{print $1}' | awk -F"--" {'print $1'}`
35 value2=`echo $value | awk -F"\"" '{print $2}'`
36 if [ ! -z $value2 ]; then
37 value=$value2
38 fi
39 if [ -z $value ]; then
40 echo "Found an option ${liste[$i]} with no value."
41 echo -e "${liste[$i]}\t\"\"" >>$OUTPUT.temp
42 else
43 echo "Found an option ${liste[$i]} with value $value."
44 echo -e "${liste[$i]}\t\"$value\"" >>$OUTPUT.temp
45 fi
46 check[$i]=1
47 fi
48 fi
49 ((i+=1))
50 done
51done
52IFS=$OLDIFS
53
54# output empty defaults for values not found
55i=0
56while [ $i -lt ${#liste[*]} ]; do
57 if [ ${check[$i]} -eq 0 ]; then
58 echo -e "${liste[$i]}\t\"\"" >>$OUTPUT.temp
59 fi
60 ((i+=1))
61done
62
63echo -e "#key\tvalue" >$OUTPUT
64sort $OUTPUT.temp | uniq >>$OUTPUT
65
66
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