Changeset f63e41 for tests

Timestamp:

Dec 14, 2012, 2:30:23 PM (12 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:

8b886f

Parents:

cb2465

git-author:

Frederik Heber <heber@…> (11/14/12 10:37:48)

git-committer:

Frederik Heber <heber@…> (12/14/12 14:30:23)

Message:

Added Actions to add and remove a bond in between two atoms.

• added new menu "bond".
• added new CommandLineParser options "bond".
• added new regression test folder "bond".
• also added regression tests with undo/redo for the new actions.

Location:

tests/regression

Files:

• Bond/Add/post/test.pdb (added)
• Bond/Add/pre/test.pdb (added)
• Bond/Add/testsuite-bond-add.at (added)
• Bond/Remove/post/test.pdb (added)
• Bond/Remove/pre/test.pdb (added)
• Bond/Remove/testsuite-bond-remove.at (added)
• Bond/testsuite-bond.at (added)
• Makefile.am (modified) (2 diffs)
• testsuite.at (modified) (1 diff)

tests/regression/Makefile.am

@@ -9 +9 @@
         Analysis \
         Atoms \
+        Bond \
         Domain \
         Filling \
@@ -35 +36 @@
         $(srcdir)/Atoms/SaveSelectedAtoms/testsuite-atoms-save-selected-atoms.at \
         $(srcdir)/Atoms/Translation/testsuite-atoms-translation.at \
+        $(srcdir)/Bond/testsuite-bond.at \
+        $(srcdir)/Bond/Add/testsuite-bond-add.at \
+        $(srcdir)/Bond/Remove/testsuite-bond-remove.at \
         $(srcdir)/Analysis/testsuite-analysis.at \
         $(srcdir)/Analysis/CalculateBoundingBox/testsuite-analysis-calculate-bounding-box.at \

tests/regression/testsuite.at

@@ -39 +39 @@
 m4_include(Atoms/testsuite-atoms.at)
 
+m4_include(Bond/testsuite-bond.at)
+
 m4_include(Selection/testsuite-selection.at)