Changeset 3f6aac for src/Actions

Timestamp:

Jul 3, 2017, 3:06:31 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Action_Thermostats, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, EmpiricalPotential_contain_HomologyGraph_documentation, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, 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, Recreated_GuiChecks, StoppableMakroAction, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps

Children:

8f2f4e

Parents:

9a4772

git-author:

Frederik Heber <frederik.heber@…> (05/12/17 20:09:49)

git-committer:

Frederik Heber <frederik.heber@…> (07/03/17 15:06:31)

Message:

Added (Un)selectAtomByName.

• Descriptor for AtomByName was already present.
• TESTS: also added regression test.

Location:

src/Actions

Files:

• GlobalListOfActions.hpp (modified) (2 diffs)
• Makefile.am (modified) (6 diffs)
• SelectionAction/Atoms/AtomByNameAction.cpp (added)
• SelectionAction/Atoms/AtomByNameAction.def (added)
• SelectionAction/Atoms/AtomByNameAction.hpp (added)
• SelectionAction/Atoms/NotAtomByNameAction.cpp (added)
• SelectionAction/Atoms/NotAtomByNameAction.def (added)
• SelectionAction/Atoms/NotAtomByNameAction.hpp (added)

src/Actions/GlobalListOfActions.hpp

@@ -120 +120 @@
   (SelectionAtomByElement) \
   (SelectionAtomById) \
+  (SelectionAtomByName) \
   (SelectionAtomByOrder) \
   (SelectionClearAllAtoms) \
@@ -135 +136 @@
   (SelectionNotAllMolecules) \
   (SelectionNotAllShapes) \
+  (SelectionNotAtomByElement) \
   (SelectionNotAtomById) \
-  (SelectionNotAtomByElement) \
+  (SelectionNotAtomByName) \
   (SelectionNotAtomByOrder) \
   (SelectionNotMoleculeOfAtom) \

src/Actions/Makefile.am

@@ -466 +466 @@
   Actions/SelectionAction/Atoms/AtomByElementAction.cpp \
   Actions/SelectionAction/Atoms/AtomByIdAction.cpp \
+  Actions/SelectionAction/Atoms/AtomByNameAction.cpp \
   Actions/SelectionAction/Atoms/AtomByOrderAction.cpp \
   Actions/SelectionAction/Atoms/ClearAllAtomsAction.cpp \
@@ -474 +475 @@
   Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp \
   Actions/SelectionAction/Atoms/NotAtomByIdAction.cpp \
+  Actions/SelectionAction/Atoms/NotAtomByNameAction.cpp \
   Actions/SelectionAction/Atoms/NotAtomByOrderAction.cpp \
   Actions/SelectionAction/Atoms/PopAtomsAction.cpp \
@@ -483 +485 @@
   Actions/SelectionAction/Atoms/AtomByElementAction.hpp \
   Actions/SelectionAction/Atoms/AtomByIdAction.hpp \
+  Actions/SelectionAction/Atoms/AtomByNameAction.hpp \
   Actions/SelectionAction/Atoms/AtomByOrderAction.hpp \
   Actions/SelectionAction/Atoms/ClearAllAtomsAction.hpp \
@@ -491 +494 @@
   Actions/SelectionAction/Atoms/NotAtomByElementAction.hpp \
   Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp \
+  Actions/SelectionAction/Atoms/NotAtomByNameAction.hpp \
   Actions/SelectionAction/Atoms/NotAtomByOrderAction.hpp \
   Actions/SelectionAction/Atoms/PopAtomsAction.hpp \
@@ -500 +504 @@
   Actions/SelectionAction/Atoms/AtomByElementAction.def \
   Actions/SelectionAction/Atoms/AtomByIdAction.def \
+  Actions/SelectionAction/Atoms/AtomByNameAction.def \
   Actions/SelectionAction/Atoms/AtomByOrderAction.def \
   Actions/SelectionAction/Atoms/ClearAllAtomsAction.def \
@@ -508 +513 @@
   Actions/SelectionAction/Atoms/NotAtomByElementAction.def \
   Actions/SelectionAction/Atoms/NotAtomByIdAction.def \
+  Actions/SelectionAction/Atoms/NotAtomByNameAction.def \
   Actions/SelectionAction/Atoms/NotAtomByOrderAction.def \
   Actions/SelectionAction/Atoms/PopAtomsAction.def \