Changeset e611dc for tests/regression/Atoms
- Timestamp:
- Oct 10, 2011, 2:27:05 PM (13 years ago)
- 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:
- c1db05
- Parents:
- 6bc86c
- git-author:
- Frederik Heber <heber@…> (09/05/11 17:31:55)
- git-committer:
- Frederik Heber <heber@…> (10/10/11 14:27:05)
- Location:
- tests/regression/Atoms
- Files:
-
- 7 edited
Legend:
- Unmodified
- Added
- Removed
-
tests/regression/Atoms/Add/testsuite-atoms-add.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Atoms - adding atom]) 4 AT_KEYWORDS([atoms ,add-atom])4 AT_KEYWORDS([atoms add-atom]) 5 5 AT_CHECK([../../molecuilder -i test.conf -o mpqc pcp xyz tremolo pdb -a 1 --domain-position "10., 10., 10."], 0, [ignore], [ignore]) 6 6 AT_CHECK([file=test.conf; diff -I '#.*' $file ${abs_top_srcdir}/tests/regression/Atoms/Add/post/test.conf], 0, [ignore], [ignore]) … … 13 13 14 14 AT_SETUP([Atoms - adding atom with Undo]) 15 AT_KEYWORDS([atoms ,add-atom,undo])15 AT_KEYWORDS([atoms add-atom undo]) 16 16 17 17 AT_CHECK([../../molecuilder -i empty.conf -o pcp -a 1 --domain-position "10., 10., 10." --undo], 0, [ignore], [ignore]) … … 22 22 23 23 AT_SETUP([Atoms - adding atom with Redo]) 24 AT_KEYWORDS([atoms ,add-atom,redo])24 AT_KEYWORDS([atoms add-atom redo]) 25 25 26 26 AT_CHECK([../../molecuilder -i test.conf -o mpqc pcp xyz tremolo pdb -a 1 --domain-position "10., 10., 10." --undo --redo], 0, [ignore], [ignore]) … … 35 35 36 36 AT_SETUP([Atoms - adding outside boundary fails]) 37 AT_KEYWORDS([atoms ,boundary,add-atom])37 AT_KEYWORDS([atoms boundary add-atom]) 38 38 39 39 AT_CHECK([../../molecuilder -i test2.conf -o mpqc pcp xyz tremolo pdb -a 1 --domain-position "0., 0., -1."], 134, [ignore], [ignore]) -
tests/regression/Atoms/ChangeElement/testsuite-atoms-change-element.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Atoms - Changing element]) 4 AT_KEYWORDS([atoms ,change-element])4 AT_KEYWORDS([atoms change-element]) 5 5 6 6 file=test.xyz … … 14 14 15 15 AT_SETUP([Atoms - Changing element with Undo]) 16 AT_KEYWORDS([atoms ,change-element,undo])16 AT_KEYWORDS([atoms change-element undo]) 17 17 18 18 file=test.xyz … … 26 26 27 27 AT_SETUP([Atoms - Changing element with Redo]) 28 AT_KEYWORDS([atoms ,change-element,redo])28 AT_KEYWORDS([atoms change-element redo]) 29 29 30 30 file=test.xyz -
tests/regression/Atoms/Remove/testsuite-atoms-remove.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Atoms - Atom removal]) 4 AT_KEYWORDS([atoms ,remove-atom])4 AT_KEYWORDS([atoms remove-atom]) 5 5 6 6 file=test.conf … … 16 16 17 17 AT_SETUP([Atoms - Atom removal with Undo]) 18 AT_KEYWORDS([atoms ,remove-atom,undo])18 AT_KEYWORDS([atoms remove-atom undo]) 19 19 20 20 file=test.conf … … 28 28 29 29 AT_SETUP([Atoms - Atom removal with Redo]) 30 AT_KEYWORDS([atoms ,remove-atom,redo])30 AT_KEYWORDS([atoms remove-atom redo]) 31 31 32 32 file=test.conf -
tests/regression/Atoms/RemoveCuboid/testsuite-atoms-remove-cuboid.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Atoms - Removing cuboid of atoms]) 4 AT_KEYWORDS([atoms ,remove-atom])4 AT_KEYWORDS([atoms remove-atom]) 5 5 6 6 file=test-withoutcuboid.xyz … … 24 24 25 25 AT_SETUP([Atoms - Removing cuboid of atoms with Undo]) 26 AT_KEYWORDS([atoms ,remove-atom,undo])26 AT_KEYWORDS([atoms remove-atom undo]) 27 27 28 28 file=test.xyz … … 42 42 43 43 AT_SETUP([Atoms - Removing cuboid of atoms with Redo]) 44 AT_KEYWORDS([atoms ,remove-atom,redo])44 AT_KEYWORDS([atoms remove-atom redo]) 45 45 46 46 file=test-withoutcuboid.xyz -
tests/regression/Atoms/RemoveSphere/testsuite-atoms-remove-sphere.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Atoms - Removing sphere of atoms]) 4 AT_KEYWORDS([atoms ,remove-atom])4 AT_KEYWORDS([atoms remove-atom]) 5 5 6 6 file=test-withoutsphere.xyz … … 24 24 25 25 AT_SETUP([Atoms - Removing sphere of atoms with Undo]) 26 AT_KEYWORDS([atoms ,remove-atom,undo])26 AT_KEYWORDS([atoms remove-atom undo]) 27 27 28 28 file=test.xyz … … 42 42 43 43 AT_SETUP([Atoms - Removing sphere of atoms with Redo]) 44 AT_KEYWORDS([atoms ,remove-atom,redo])44 AT_KEYWORDS([atoms remove-atom redo]) 45 45 46 46 file=test-withoutsphere.xyz -
tests/regression/Atoms/SaveSelectedAtoms/testsuite-atoms-save-selected-atoms.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Atoms - Save selected atoms]) 4 AT_KEYWORDS([atoms ,save,selection,save-selected-atoms])4 AT_KEYWORDS([atoms save selection save-selected-atoms]) 5 5 6 6 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/SaveSelectedAtoms/pre/test.xyz .], 0) -
tests/regression/Atoms/Translation/testsuite-atoms-translation.at
r6bc86c re611dc 2 2 3 3 AT_SETUP([Atoms - Translation]) 4 AT_KEYWORDS([atoms ,translate-atoms])4 AT_KEYWORDS([atoms translate-atoms]) 5 5 6 6 file=test.xyz … … 14 14 15 15 AT_SETUP([Atoms - Translation with Undo]) 16 AT_KEYWORDS([atoms ,translate-atoms,undo])16 AT_KEYWORDS([atoms translate-atoms undo]) 17 17 18 18 file=test.xyz … … 26 26 27 27 AT_SETUP([Atoms - Translation with Redo]) 28 AT_KEYWORDS([atoms ,translate-atoms,redo])28 AT_KEYWORDS([atoms translate-atoms redo]) 29 29 30 30 file=test.xyz
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