Changeset c4abf2 for tests


Ignore:
Timestamp:
Sep 14, 2016, 1:36:04 PM (8 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, 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_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable
Children:
c24071
Parents:
3dadd5
git-author:
Frederik Heber <heber@…> (09/12/16 13:11:49)
git-committer:
Frederik Heber <heber@…> (09/14/16 13:36:04)
Message:

TEST: Added regression tests on saturating partially bonded atoms.

Location:
tests/regression
Files:
6 added
2 edited
2 moved

Legend:

Unmodified
Added
Removed

  • tests/regression/Atoms/testsuite-atoms.at

    r3dadd5 rc4abf2  
    4646
    4747# saturate atoms
    48 m4_include([Atoms/Saturate/testsuite-atoms-saturate_carbon.at])
    49 m4_include([Atoms/Saturate/testsuite-atoms-saturate_nitrogen.at])
     48m4_include([Atoms/Saturate/testsuite-atoms-saturate-atoms-carbon.at])
     49m4_include([Atoms/Saturate/testsuite-atoms-saturate-atoms-nitrogen.at])
     50m4_include([Atoms/Saturate/testsuite-atoms-saturate-atoms-bonded_atoms.at])

  • tests/regression/Makefile.am

    r3dadd5 rc4abf2  
    4141        $(srcdir)/Atoms/RemoveSphere/testsuite-atoms-remove-sphere.at \
    4242        $(srcdir)/Atoms/SaveSelectedAtoms/testsuite-atoms-save-selected-atoms.at \
    43         $(srcdir)/Atoms/Saturate/testsuite-atoms-saturate_carbon.at \
    44         $(srcdir)/Atoms/Saturate/testsuite-atoms-saturate_nitrogen.at \
     43        $(srcdir)/Atoms/Saturate/testsuite-atoms-saturate-atoms-bonded_atoms.at \
     44        $(srcdir)/Atoms/Saturate/testsuite-atoms-saturate-atoms-carbon.at \
     45        $(srcdir)/Atoms/Saturate/testsuite-atoms-saturate-atoms-nitrogen.at \
    4546        $(srcdir)/Atoms/Translation/testsuite-atoms-translation.at \
    4647        $(srcdir)/Atoms/TranslationToOrigin/testsuite-atoms-translation-to-origin.at \
Note: See TracChangeset for help on using the changeset viewer.