Ignore:
Timestamp:
Oct 10, 2011, 2:27:06 PM (13 years ago)
Author:
Frederik Heber <heber@…>
Branches:
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
Children:
78d5b2
Parents:
5c5472
git-author:
Frederik Heber <heber@…> (09/06/11 08:34:01)
git-committer:
Frederik Heber <heber@…> (10/10/11 14:27:06)
Message:

TESTFIX: Regression tests for Parser load now correctly compares the undo case against empty file.

  • added correct emoty file to each Parser test's post folder.
  • adapted undo case for each load test to compare against the empty file.
  • note that tests for Undo/Redo are still marked as XFAIL.
Location:
tests/regression/Parser
Files:
8 edited

Legend:

Unmodified
Added
Removed

  • tests/regression/Parser/Mpqc/testsuite-parser-mpqc-load.at

    r5c5472 raa8cc2  
    2929file=emptyCLHF.in
    3030AT_CHECK([../../molecuilder -i $file -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc/pre/testCLHF.in --undo], 0, [ignore], [ignore])
    31 AT_CHECK([diff -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Mpqc/post/emptyCLHF.in], 0, [ignore], [ignore])
     31AT_CHECK([diff -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Mpqc/post/empty.in], 0, [ignore], [ignore])
    3232
    3333file=emptyCLKS.in
    3434AT_CHECK([../../molecuilder -i $file -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc/pre/testCLKS.in --undo], 0, [ignore], [ignore])
    35 AT_CHECK([diff -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Mpqc/post/emptyCLKS.in], 0, [ignore], [ignore])
     35AT_CHECK([diff -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Mpqc/post/empty.in], 0, [ignore], [ignore])
    3636
    3737file=emptyMBPT2.in
    3838AT_CHECK([../../molecuilder -i $file -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc/pre/testMBPT2.in --undo], 0, [ignore], [ignore])
    39 AT_CHECK([diff -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Mpqc/post/emptyMBPT2.in], 0, [ignore], [ignore])
     39AT_CHECK([diff -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Mpqc/post/empty.in], 0, [ignore], [ignore])
    4040
    4141file=emptyMBPT2_R12.in
    4242AT_CHECK([../../molecuilder -i $file -o mpqc -l ${abs_top_srcdir}/tests/regression/Parser/Mpqc/pre/testMBPT2_R12.in --undo], 0, [ignore], [ignore])
    43 AT_CHECK([diff -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Mpqc/post/emptyMBPT2_R12.in], 0, [ignore], [ignore])
     43AT_CHECK([diff -I '%.*' $file ${abs_top_srcdir}/tests/regression/Parser/Mpqc/post/empty.in], 0, [ignore], [ignore])
    4444
    4545AT_CLEANUP

  • tests/regression/Parser/Pcp/post/empty.conf

    r5c5472 raa8cc2  
    3535RelEpsTotalE    1e-07   # relative change in total energy
    3636RelEpsKineticE  1e-05   # relative change in kinetic energy
    37 MaxMinStopStep  1       # check every ..th steps
     37MaxMinStopStep  0       # check every ..th steps
    3838MaxMinGapStopStep       1       # check every ..th steps
    3939
    … …  
    4242InitRelEpsTotalE        1e-05   # relative change in total energy
    4343InitRelEpsKineticE      0.0001  # relative change in kinetic energy
    44 InitMaxMinStopStep      1       # check every ..th steps
     44InitMaxMinStopStep      0       # check every ..th steps
    4545InitMaxMinGapStopStep   1       # check every ..th steps
    4646

  • tests/regression/Parser/Pcp/testsuite-parser-pcp-load.at

    r5c5472 raa8cc2  
    1515
    1616AT_CHECK([../../molecuilder -i test.conf -o pcp -l ${abs_top_srcdir}/tests/regression/Parser/Pcp/pre/test.conf --undo], 0, [ignore], [ignore])
    17 AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/tests/regression/Parser/Pcp/post/test.conf], 0, [ignore], [ignore])
     17AT_CHECK([file=test.conf; diff $file ${abs_top_srcdir}/tests/regression/Parser/Pcp/post/empty.conf], 0, [ignore], [ignore])
    1818
    1919AT_CLEANUP

  • tests/regression/Parser/Pdb/post/empty.pdb

    r5c5472 raa8cc2  
    1 REMARK created by molecuilder on Tue Dec  7 13:11:31 2010
     1REMARK created by molecuilder on Tue Sep  6 10:28:41 2011, time step 0
    22END

  • tests/regression/Parser/Pdb/testsuite-parser-pdb-multiple-timesteps.at

    r5c5472 raa8cc2  
    2828AT_KEYWORDS([parser load pdb timesteps redo])
    2929
    30 AT_CHECK([../../molecuilder -v 4 -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti.pdb --undo --redo], 0, [ignore], [ignore])
     30AT_CHECK([../../molecuilder -i testmulti.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti.pdb --undo --redo], 0, [ignore], [ignore])
    3131AT_CHECK([file=testmulti.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/testmulti.pdb], 0, [ignore], [ignore])
    32 AT_CHECK([../../molecuilder -v 4 -i testmulti2.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti2.pdb --undo --redo], 0, [ignore], [ignore])
     32AT_CHECK([../../molecuilder -i testmulti2.pdb -o pdb -l ${abs_top_srcdir}/tests/regression/Parser/Pdb/pre/testmulti2.pdb --undo --redo], 0, [ignore], [ignore])
    3333AT_CHECK([file=testmulti2.pdb; diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Pdb/post/testmulti2.pdb], 0, [ignore], [ignore])
    3434

  • tests/regression/Parser/Tremolo/testsuite-parser-tremolo-load.at

    r5c5472 raa8cc2  
    1818file=argon.data
    1919AT_CHECK([../../molecuilder -i $file -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/argon.data --undo], 0, [ignore], [ignore])
    20 AT_CHECK([diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/argon.data], 0, [ignore], [ignore])
     20AT_CHECK([diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/empty.data], 0, [ignore], [ignore])
    2121
    2222AT_CLEANUP

  • tests/regression/Parser/Xyz/post/empty.xyz

    r5c5472 raa8cc2  
    110
    2         Created by molecuilder on Tue Oct  6 18:34:23 2009
     2        Created by molecuilder on Tue Sep  6 10:31:26 2011, time step 0

  • tests/regression/Parser/Xyz/testsuite-parser-xyz-load.at

    r5c5472 raa8cc2  
    1717file=test.xyz
    1818AT_CHECK([../../molecuilder -i $file -o xyz -l ${abs_top_srcdir}/tests/regression/Parser/Xyz/pre/test.xyz --undo], 0, [ignore], [ignore])
    19 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Xyz/post/test.xyz], 0, [ignore], [ignore])
     19AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Parser/Xyz/post/empty.xyz], 0, [ignore], [ignore])
    2020
    2121AT_CLEANUP
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