Changeset 788dce for src/Actions

Timestamp:

Jun 20, 2017, 7:58:36 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChangeBugEmailaddress, ChemicalSpaceEvaluator, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_oldresults, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps

Children:

5e17bf

Parents:

9a9f847

git-author:

Frederik Heber <heber@…> (03/22/17 15:42:35)

git-committer:

Frederik Heber <frederik.heber@…> (06/20/17 19:58:36)

Message:

Added RotateAroundBondAction.

• TESTS: added regression test.
• DOCU: added explanation to userguide.

Location:

src/Actions

Files:

• GlobalListOfActions.hpp (modified) (1 diff)
• Makefile.am (modified) (3 diffs)
• MoleculeAction/RotateAroundBondAction.cpp (added)
• MoleculeAction/RotateAroundBondAction.def (added)
• MoleculeAction/RotateAroundBondAction.hpp (added)

src/Actions/GlobalListOfActions.hpp

@@ -83 +83 @@
   (MoleculeLoad) \
   (MoleculeRemove) \
+  (MoleculeRotateAroundBond) \
   (MoleculeRotateAroundSelfByAngle) \
   (MoleculeRotateToPrincipalAxisSystem) \

src/Actions/Makefile.am

@@ -317 +317 @@
   Actions/MoleculeAction/LoadAction.cpp \
   Actions/MoleculeAction/RemoveAction.cpp \
+  Actions/MoleculeAction/RotateAroundBondAction.cpp \
   Actions/MoleculeAction/RotateAroundSelfByAngleAction.cpp \
   Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp \
@@ -335 +336 @@
   Actions/MoleculeAction/LoadAction.hpp \
   Actions/MoleculeAction/RemoveAction.hpp \
+  Actions/MoleculeAction/RotateAroundBondAction.hpp \
   Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp \
   Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp \
@@ -353 +355 @@
   Actions/MoleculeAction/LoadAction.def \
   Actions/MoleculeAction/RemoveAction.def \
+  Actions/MoleculeAction/RotateAroundBondAction.def \
   Actions/MoleculeAction/RotateAroundSelfByAngleAction.def \
   Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def \