source: tests/regression/CheckCommand.sh@ c77ac8

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 c77ac8 was c77ac8, checked in by Frederik Heber <heber@…>, 14 years ago

Added regression test for each SelectionAction on molecules.

  • new subfolder Selection/Molecules.
  • contains a testsuite-selection-....at per selection present.
  • extensive and very well checked tests.
  • Property mode set to 100644
File size: 1.3 KB
RevLine 
[c77ac8]1check_command() {
2 # $1 is the path to regression files (relative to tests/regression)
3 # $2 is the source file name (the one in pre/)
4 # $3 is filename (correlates to the to compare in post/)
5 # $4 is first part of command (till command to test, undo/redo affect this one)
6 # $5 is second part of command (anything thereafter)
7 regressionpath=${abs_top_srcdir}/${AUTOTEST_PATH}/$1
8 AT_CHECK([cp -n $regressionpath/pre/$2 test.xyz], 0)
9 AT_CHECK([../../molecuilder -i test.xyz $4 $add $5], 0, [stdout], [stderr])
10 AT_CHECK([diff -I '.*Created by molecuilder.*' test.xyz $regressionpath/post/$3], 0, [ignore], [ignore])
11}
12
13check_command_output() {
14 # $1 is the path to regression files (relative to tests/regression)
15 # $2 is the source file name (the one in pre/)
16 # $3 is output file name to diff (correlates to the to compare in post/, NOT $testfile)
17 # $4 is first part of command (till command to test, undo/redo affect this one)
18 # $5 is second part of command (anything thereafter)
19 testfile=test.xyz
20 regressionpath=${abs_top_srcdir}/${AUTOTEST_PATH}/$1
21 AT_CHECK([cp -n $regressionpath/pre/$2 $testfile], 0)
22 AT_CHECK([../../molecuilder -i $testfile $4 $add $5], 0, [stdout], [stderr])
23 AT_CHECK([diff -I '.*Created by molecuilder.*' $3 $regressionpath/post/$3], 0, [ignore], [ignore])
24}
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