Changeset 170ba6 for tests


Ignore:
Timestamp:
Feb 11, 2011, 8:55:44 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:
7a51be
Parents:
69948e
Message:

BUGFIX: MoleculeOrderDescription was not working in reverse because of bug in ObservedContainer.

  • we now require v1.0.9 of Codepatterns where bug in ObservedContainer is fixed.
  • TEST: added regression test Selection/Molecules/MoleculeByOrder with separate forward and backward test.
  • TEST: split up Selection/testsuite file into one on atoms, the other on molecules.
Location:
tests/regression
Files:
8 added
2 edited

Legend:

Unmodified
Added
Removed

  • tests/regression/Makefile.am

    r69948e r170ba6  
    8787        $(srcdir)/RandomNumbers/Engine/testsuite-set-random-number-engine.at \
    8888        $(srcdir)/Selection/testsuite-selection.at \
     89        $(srcdir)/Selection/Atoms/testsuite-selection-atoms.at \
    8990        $(srcdir)/Selection/Atoms/AllAtoms/testsuite-selection-all-atoms.at \
    9091        $(srcdir)/Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at \
    … …  
    9495        $(srcdir)/Selection/Atoms/AtomsInsideSphere/testsuite-selection-atoms-inside-sphere.at \
    9596        $(srcdir)/Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at \
     97        $(srcdir)/Selection/Molecules/testsuite-selection-molecules.at \
    9698        $(srcdir)/Selection/Molecules/AllMolecules/testsuite-selection-all-molecules.at \
    9799        $(srcdir)/Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.at \
    … …  
    99101        $(srcdir)/Selection/Molecules/MoleculeById/testsuite-selection-molecule-by-id.at \
    100102        $(srcdir)/Selection/Molecules/MoleculeByName/testsuite-selection-molecules-by-name.at \
     103        $(srcdir)/Selection/Molecules/MoleculeByOrder/testsuite-selection-molecule-by-order.at \
    101104        $(srcdir)/Selection/Molecules/MoleculeOfAtom/testsuite-selection-atoms-molecules.at \
    102105        $(srcdir)/Tesselation/testsuite-tesselation.at \

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

    r69948e r170ba6  
    33### ATOMS ####
    44
    5 # (un)select all atoms
    6 m4_include(Selection/Atoms/AllAtoms/testsuite-selection-all-atoms.at)
    7 
    8 # (un)select all atoms of molecule
    9 m4_include(Selection/Atoms/AllAtomsOfMolecule/testsuite-selection-all-atoms-of-molecule.at)
    10 
    11 # (un)select atoms by element
    12 m4_include(Selection/Atoms/AtomByElement/testsuite-selection-atoms-by-element.at)
    13 
    14 # (un)select atom by id
    15 m4_include(Selection/Atoms/AtomById/testsuite-selection-atom-by-id.at)
    16 
    17 # (un)select atoms inside cuboid
    18 m4_include(Selection/Atoms/AtomsInsideCuboid/testsuite-selection-atoms-inside-cuboid.at)
    19 
    20 # (un)select atoms inside sphere
    21 m4_include(Selection/Atoms/AtomsInsideSphere/testsuite-selection-atoms-inside-sphere.at)
    22 
    23 # clear atom selection
    24 m4_include(Selection/Atoms/ClearAtoms/testsuite-selection-clear-atoms.at)
     5m4_include(Selection/Atoms/testsuite-selection-atoms.at)
    256
    267### Molecules ###
    278
    28 # (un)select all molecules
    29 m4_include(Selection/Molecules/AllMolecules/testsuite-selection-all-molecules.at)
    30 
    31 # clear molecule selection
    32 m4_include(Selection/Molecules/ClearMolecules/testsuite-selection-clear-molecules.at)
    33 
    34 # (un)select molecules by formula
    35 m4_include(Selection/Molecules/MoleculeByFormula/testsuite-selection-molecules-by-formula.at)
    36 
    37 # (un)select molecule by id
    38 m4_include(Selection/Molecules/MoleculeById/testsuite-selection-molecule-by-id.at)
    39 
    40 # (un)select molecule by name
    41 m4_include(Selection/Molecules/MoleculeByName/testsuite-selection-molecules-by-name.at)
    42 
    43 # (un)select molecule from atom selection
    44 m4_include(Selection/Molecules/MoleculeOfAtom/testsuite-selection-atoms-molecules.at)
     9m4_include(Selection/Molecules/testsuite-selection-molecules.at)
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