Changeset c77ac8


Ignore:
Timestamp:
Dec 16, 2010, 5:32:23 PM (14 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:
f4d063
Parents:
ff237c
git-author:
Frederik Heber <heber@…> (12/11/10 22:02:50)
git-committer:
Frederik Heber <heber@…> (12/16/10 17:32:23)
Message:

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.
Location:
tests/regression
Files:
35 added
2 edited

Legend:

Unmodified
Added
Removed

  • tests/regression/Makefile.am

    rff237c rc77ac8  
    3232        $(srcdir)/Selection/Atoms/testsuite-selection-atoms-of-molecule.at \
    3333        $(srcdir)/Selection/Atoms/testsuite-selection-clear-atoms.at \
     34        $(srcdir)/Selection/Molecules/testsuite-selection-all-molecules.at \
     35        $(srcdir)/Selection/Molecules/testsuite-selection-clear-molecules.at \
     36        $(srcdir)/Selection/Molecules/testsuite-selection-molecules-by-formula.at \
     37        $(srcdir)/Selection/Molecules/testsuite-selection-molecule-by-id.at \
     38        $(srcdir)/Selection/Molecules/testsuite-selection-molecules-by-name.at \
     39        $(srcdir)/Selection/Molecules/testsuite-selection-molecules-of-atoms.at \
    3440        $(srcdir)/testsuite-specifics.at \
    3541        $(srcdir)/testsuite-standard_options.at \

  • tests/regression/Selection/testsuite-selection.at

    rff237c rc77ac8  
    11AT_BANNER([MoleCuilder - Selections])
     2
     3### ATOMS ####
    24
    35# 5. (un)select atoms by element
    … …  
    2224m4_include(Selection/Atoms/testsuite-selection-clear-atoms.at)
    2325
     26### Molecules ###
     27
     28# 1. (un)select all molecules
     29m4_include(Selection/Molecules/testsuite-selection-all-molecules.at)
     30
     31# 2. clear molecule selection
     32m4_include(Selection/Molecules/testsuite-selection-clear-molecules.at)
     33
     34# 3. (un)select molecules by formula
     35m4_include(Selection/Molecules/testsuite-selection-molecules-by-formula.at)
     36
     37# 4. (un)select molecule by id
     38m4_include(Selection/Molecules/testsuite-selection-molecule-by-id.at)
     39
     40# 5. (un)select molecule by name
     41m4_include(Selection/Molecules/testsuite-selection-molecules-by-name.at)
     42
     43# 6. (un)select molecule from atom selection
     44m4_include(Selection/Molecules/testsuite-selection-molecules-of-atoms.at)
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