Changeset 718542 for tests/regression/Selection/Atoms/AtomByElement
- Timestamp:
- Sep 22, 2011, 12:50:41 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:
- a08d660
- Parents:
- 43a0ae
- git-author:
- Frederik Heber <heber@…> (04/27/11 18:34:45)
- git-committer:
- Frederik Heber <heber@…> (09/22/11 12:50:41)
- Location:
- tests/regression/Selection/Atoms/AtomByElement
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-select-atoms-by-element.at
r43a0ae r718542 3 3 # select element by atomic number: 1, 4 4 4 AT_SETUP([Selection - All atoms with specific element by atomic number]) 5 AT_KEYWORDS([selection,atom,element, atomic number])5 AT_KEYWORDS([selection,atom,element,select-atom-by-element]) 6 6 7 7 file=test-H_missing.xyz … … 21 21 22 22 AT_SETUP([Selection - All atoms with specific element by symbol with Undo]) 23 AT_KEYWORDS([ element,symbol])23 AT_KEYWORDS([selection,atom,element,select-atom-by-element,undo]) 24 24 25 25 file=test.xyz … … 38 38 39 39 AT_SETUP([Selection - All atoms with specific element by symbol with Redo]) 40 AT_KEYWORDS([ element,symbol])40 AT_KEYWORDS([selection,atom,element,select-atom-by-element,redo]) 41 41 42 42 file=test-H_missing.xyz -
tests/regression/Selection/Atoms/AtomByElement/testsuite-selection-unselect-atoms-by-element.at
r43a0ae r718542 4 4 # select element by atomic number: 1, 4 5 5 AT_SETUP([Unselection - All atoms with specific element by atomic number]) 6 AT_KEYWORDS([unselection,atom,element, atomic number])6 AT_KEYWORDS([unselection,atom,element,unselect-atom-by-element]) 7 7 8 8 file=test-H_present.xyz … … 22 22 23 23 AT_SETUP([Unselection - All atoms with specific element by symbol with Undo]) 24 AT_KEYWORDS([ element,symbol])24 AT_KEYWORDS([unselection,atom,element,unselect-atom-by-element,undo]) 25 25 26 26 file=test.xyz … … 39 39 40 40 AT_SETUP([Unselection - All atoms with specific element by symbol with Redo]) 41 AT_KEYWORDS([ element,symbol])41 AT_KEYWORDS([unselection,atom,element,unselect-atom-by-element,redo]) 42 42 43 43 file=test-H_present.xyz
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