Changeset 481e92 for src/Actions/MapOfActions.cpp

Timestamp:

Aug 9, 2010, 1:21:12 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:

381c5f

Parents:

770287

git-author:

Frederik Heber <heber@…> (08/09/10 13:10:33)

git-committer:

Frederik Heber <heber@…> (08/09/10 13:21:12)

Message:

New selection: select-molecule-of-atom.

File:

• src/Actions/MapOfActions.cpp (modified) (6 diffs)

src/Actions/MapOfActions.cpp

@@ -73 +73 @@
 #include "Actions/SelectionAction/ClearAllMoleculesAction.hpp"
 #include "Actions/SelectionAction/MoleculeByIdAction.hpp"
+#include "Actions/SelectionAction/MoleculeOfAtomAction.hpp"
 #include "Actions/SelectionAction/NotAllAtomsAction.hpp"
 #include "Actions/SelectionAction/NotAllMoleculesAction.hpp"
@@ -222 +223 @@
   DescriptionMap["select-atom-by-id"] = "select an atom by index";
   DescriptionMap["select-molecule-by-id"] = "select a molecule by index";
+  DescriptionMap["select-molecule-of-atom"] = "select a molecule to which a given atom belongs";
   DescriptionMap["select-molecules-atoms"] = "select all atoms of a molecule";
   DescriptionMap["set-basis"] = "set the name of the gaussian basis set for MPQC";
@@ -342 +344 @@
   TypeMap["select-atom-by-id"] = &typeid(atom);
   TypeMap["select-molecule-by-id"] = &typeid(molecule);
+  TypeMap["select-molecule-of-atom"] = &typeid(atom);
   TypeMap["select-molecules-atoms"] = &typeid(molecule);
   TypeMap["set-basis"] = &typeid(std::string);
@@ -457 +460 @@
   MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "select-atom-by-id") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "select-molecule-by-id") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "select-molecule-of-atom") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "select-molecules-atoms") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "unselect-all-atoms") );
@@ -524 +528 @@
   generic.insert("select-atom-by-id");
   generic.insert("select-molecule-by-id");
+  generic.insert("select-molecule-of-atom");
   generic.insert("select-molecules-atoms");
   generic.insert("set-basis");
@@ -856 +861 @@
   new SelectionAtomByIdAction();
   new SelectionMoleculeByIdAction();
+  new SelectionMoleculeOfAtomAction();
   new SelectionNotAllAtomsAction();
   new SelectionNotAllMoleculesAction();