Changeset b9d387 for tests

Timestamp:

Feb 28, 2016, 6:00:02 PM (9 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:

df0c80

Parents:

50d49d

git-author:

Frederik Heber <heber@…> (02/16/16 14:47:20)

git-committer:

Frederik Heber <heber@…> (02/28/16 18:00:02)

Message:

Added regression test for fill-regular-grid that with minimum distance.

• test is marked as XFAIL for now due to missing minimum distance consideration.

Location:

tests/regression

Files:

• Filling/RegularGrid/post/amylose_filled_water.pdb (added)
• Filling/RegularGrid/pre/amylose_straightened_more.pdb (added)
• Filling/RegularGrid/pre/water.pdb (added)
• Filling/RegularGrid/testsuite-fill-regular-grid-with-minimum-distance-to-surface.at (added)
• Filling/testsuite-filling.at (modified) (1 diff)
• Makefile.am (modified) (1 diff)

tests/regression/Filling/testsuite-filling.at

@@ -34 +34 @@
 m4_include([Filling/RegularGrid/testsuite-fill-regular-grid.at])
 m4_include([Filling/RegularGrid/testsuite-fill-regular-grid-with-surface.at])
+m4_include([Filling/RegularGrid/testsuite-fill-regular-grid-with-minimum-distance-to-surface.at])
 
 # filling shape's volumes

tests/regression/Makefile.am

@@ -83 +83 @@
         $(srcdir)/Filling/FillVolume/testsuite-fill-volume-sphere.at \
         $(srcdir)/Filling/RegularGrid/testsuite-fill-regular-grid.at \
+        $(srcdir)/Filling/RegularGrid/testsuite-fill-regular-grid-with-minimum-distance-to-surface.at \
         $(srcdir)/Filling/RegularGrid/testsuite-fill-regular-grid-with-surface.at \
         $(srcdir)/Filling/SuspendInWater/testsuite-suspend-in-water.at \