source: tests/regression/Python/AllActions/getPossibleOptions.sh@ f89b45

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 f89b45 was 3493da, checked in by Frederik Heber <heber@…>, 13 years ago

Gathered default values for each action and wrote regression test that uses moltest.py.

  • options gathered by script getPossibleOptions.sh in file options.dat. missing.dat contains all currently available action and option tokens for easier retrieval of possible default values.
  • new regression test Python/AllActions that tests callability/presence of all Actions. This test is so far marked as XFAIL.
  • Note that default values in options.dat have slightly different format as they are directly stored in ValueStorage by COMMAND() call and do not go through CommandLineParser, e.g. domain is upper now lower diagonal matrix and vectors are space-, note comma-separated.
  • 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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