Ignore:
Timestamp:
Mar 4, 2010, 10:33:44 AM (15 years ago)
Author:
Tillmann Crueger <crueger@…>
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:
31af19, 66e95e, bd58fb
Parents:
88d586
Message:

Added methods to query Molecules by ID

File:
1 edited

Legend:

Unmodified
Added
Removed

  • src/unittests/Makefile.am

    r88d586 r57adc7  
    1212  AnalysisCorrelationToSurfaceUnitTest \
    1313  AnalysisPairCorrelationUnitTest \
     14  atomsCalculationTest \
     15  AtomDescriptorTest \
    1416  BondGraphUnitTest \
     17  CacheableTest \
    1518  GSLMatrixSymmetricUnitTest \
    1619  GSLMatrixUnitTest \
    … …  
    2023  ListOfBondsUnitTest \
    2124  LogUnitTest \
     25  manipulateAtomsTest \
    2226  MemoryUsageObserverUnitTest \
    2327  MemoryAllocatorUnitTest \
     28  MoleculeDescriptorTest \
     29  ObserverTest \
    2430  StackClassUnitTest \
    2531  TesselationUnitTest \
    … …  
    2733  Tesselation_InOutsideUnitTest \
    2834  VectorUnitTest \
    29   ObserverTest \
    30   CacheableTest \
    31   DescriptorUnittest \
    32   manipulateAtomsTest \
    33   atomsCalculationTest \
    3435  ${MENUTESTS}
    3536 
    … …  
    4546TESTSOURCES = \
    4647  ActOnAllUnitTest.cpp \
     48  ActionSequenceTest.cpp \
    4749  analysisbondsunittest.cpp \
    4850  AnalysisCorrelationToPointUnitTest.cpp \
    4951  AnalysisCorrelationToSurfaceUnitTest.cpp  \
    5052  AnalysisPairCorrelationUnitTest.cpp \
     53  AtomDescriptorTest.cpp \
     54  atomsCalculationTest.cpp \
    5155  bondgraphunittest.cpp \
     56  CacheableTest.cpp \
    5257  gslmatrixsymmetricunittest.cpp \
    5358  gslmatrixunittest.cpp \
    … …  
    5762  listofbondsunittest.cpp \
    5863  logunittest.cpp \
     64  manipulateAtomsTest.cpp \
    5965  memoryallocatorunittest.cpp  \
    6066  memoryusageobserverunittest.cpp \
     67  MoleculeDescriptorTest.cpp \
     68  ObserverTest.cpp \
    6169  stackclassunittest.cpp \
    6270  tesselationunittest.cpp \
    6371  tesselation_boundarytriangleunittest.cpp \
    6472  tesselation_insideoutsideunittest.cpp \
    65   vectorunittest.cpp \
    66   ObserverTest.cpp \
    67   CacheableTest.cpp \
    68   DescriptorUnittest.cpp \
    69   manipulateAtomsTest.cpp \
    70   atomsCalculationTest.cpp \
    71   ActionSequenceTest.cpp
     73  vectorunittest.cpp
    7274
    7375TESTHEADERS = \
    … …  
    119121MemoryUsageObserverUnitTest_LDADD = ${ALLLIBS}
    120122
     123MoleculeDescriptorTest_SOURCES = UnitTestMain.cpp MoleculeDescriptorTest.cpp MoleculeDescriptorTest.hpp
     124MoleculeDescriptorTest_LDADD = ${ALLLIBS}
     125
    121126StackClassUnitTest_SOURCES = UnitTestMain.cpp stackclassunittest.cpp stackclassunittest.hpp
    122127StackClassUnitTest_LDADD = ${ALLLIBS}
    … …  
    143148CacheableTest_LDADD = ${ALLLIBS}
    144149
    145 DescriptorUnittest_SOURCES = UnitTestMain.cpp DescriptorUnittest.cpp DescriptorUnittest.hpp
    146 DescriptorUnittest_LDADD = ${ALLLIBS}
     150AtomDescriptorTest_SOURCES = UnitTestMain.cpp AtomDescriptorTest.cpp AtomDescriptorTest.hpp
     151AtomDescriptorTest_LDADD = ${ALLLIBS}
    147152
    148153manipulateAtomsTest_SOURCES = UnitTestMain.cpp manipulateAtomsTest.cpp manipulateAtomsTest.hpp
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