Changeset 381c5f

Timestamp:

Aug 9, 2010, 1:21:21 PM (15 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:

75a80f

Parents:

481e92

git-author:

Frederik Heber <heber@…> (08/09/10 13:15:15)

git-committer:

Frederik Heber <heber@…> (08/09/10 13:21:21)

Message:

New selection: unselect-molecules-atoms.

Location:

src/Actions

Files:

• Makefile.am (modified) (2 diffs)
• MapOfActions.cpp (modified) (6 diffs)
• SelectionAction/NotAllAtomsOfMoleculeAction.cpp (added)
• SelectionAction/NotAllAtomsOfMoleculeAction.hpp (added)

src/Actions/Makefile.am

@@ -126 +126 @@
         SelectionAction/MoleculeOfAtomAction.cpp \
         SelectionAction/NotAllAtomsAction.cpp \
+        SelectionAction/NotAllAtomsOfMoleculeAction.cpp \
         SelectionAction/NotAllMoleculesAction.cpp \
         SelectionAction/NotAtomByIdAction.cpp \
@@ -139 +140 @@
         SelectionAction/MoleculeOfAtomAction.hpp \
         SelectionAction/NotAllAtomsAction.hpp \
+        SelectionAction/NotAllAtomsOfMoleculeAction.hpp \
         SelectionAction/NotAllMoleculesAction.hpp \
         SelectionAction/NotAtomByIdAction.hpp \

src/Actions/MapOfActions.cpp

@@ -75 +75 @@
 #include "Actions/SelectionAction/MoleculeOfAtomAction.hpp"
 #include "Actions/SelectionAction/NotAllAtomsAction.hpp"
+#include "Actions/SelectionAction/NotAllAtomsOfMoleculeAction.hpp"
 #include "Actions/SelectionAction/NotAllMoleculesAction.hpp"
 #include "Actions/SelectionAction/NotAtomByIdAction.hpp"
@@ -235 +236 @@
   DescriptionMap["unselect-atom-by-id"] = "unselect an atom by index";
   DescriptionMap["unselect-molecule-by-id"] = "unselect a molecule by index";
+  DescriptionMap["unselect-molecules-atoms"] = "unselect all atoms of a molecule";
   DescriptionMap["verbose"] = "set verbosity level";
   DescriptionMap["verlet-integrate"] = "perform verlet integration of a given force file";
@@ -356 +358 @@
   TypeMap["unselect-atom-by-id"] = &typeid(atom);
   TypeMap["unselect-molecule-by-id"] = &typeid(molecule);
+  TypeMap["unselect-molecules-atoms"] = &typeid(molecule);
   TypeMap["verlet-integrate"] = &typeid(std::string);
   TypeMap["verbose"] = &typeid(int);
@@ -466 +469 @@
   MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "unselect-atom-by-id") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "unselect-molecule-by-id") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "unselect-molecules-atoms") );
 
   MenuContainsActionMap.insert( pair<std::string, std::string> ("tesselation", "convex-envelope") );
@@ -540 +544 @@
   generic.insert("unselect-atom-by-id");
   generic.insert("unselect-molecule-by-id");
+  generic.insert("unselect-molecules-atoms");
         generic.insert("verbose");
   generic.insert("verlet-integrate");
@@ -863 +868 @@
   new SelectionMoleculeOfAtomAction();
   new SelectionNotAllAtomsAction();
+  new SelectionNotAllAtomsOfMoleculeAction();
   new SelectionNotAllMoleculesAction();
   new SelectionNotAtomByIdAction();