Changeset 353e82 for src/Actions/MapOfActions.cpp

Timestamp:

Aug 9, 2010, 6:34:36 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:

0d02fb, 4e6d74, e41c48

Parents:

b5c53d (diff), 1cc87e (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'AddMoreActions' into stable

File:

• src/Actions/MapOfActions.cpp (modified) (28 diffs)

src/Actions/MapOfActions.cpp

@@ -42 +42 @@
 #include "Actions/AtomAction/ChangeElementAction.hpp"
 #include "Actions/AtomAction/RemoveAction.hpp"
+#include "Actions/AtomAction/RotateAroundOriginByAngleAction.hpp"
+#include "Actions/AtomAction/TranslateAction.hpp"
 #include "Actions/CmdAction/BondLengthTableAction.hpp"
 #include "Actions/CmdAction/ElementDbAction.hpp"
@@ -55 +57 @@
 #include "Actions/MoleculeAction/FillWithMoleculeAction.hpp"
 #include "Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.hpp"
-#include "Actions/MoleculeAction/RotateAroundOriginByAngleAction.hpp"
 #include "Actions/MoleculeAction/RotateAroundSelfByAngleAction.hpp"
 #include "Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.hpp"
@@ -62 +63 @@
 #include "Actions/MoleculeAction/SaveTemperatureAction.hpp"
 #include "Actions/MoleculeAction/SuspendInWaterAction.hpp"
-#include "Actions/MoleculeAction/TranslateAction.hpp"
 #include "Actions/MoleculeAction/VerletIntegrationAction.hpp"
 #include "Actions/ParserAction/LoadXyzAction.hpp"
 #include "Actions/ParserAction/SaveXyzAction.hpp"
 #include "Actions/SelectionAction/AllAtomsAction.hpp"
+#include "Actions/SelectionAction/AllAtomsInsideCuboidAction.hpp"
+#include "Actions/SelectionAction/AllAtomsInsideSphereAction.hpp"
+#include "Actions/SelectionAction/AllAtomsOfMoleculeAction.hpp"
 #include "Actions/SelectionAction/AllMoleculesAction.hpp"
 #include "Actions/SelectionAction/AtomByIdAction.hpp"
+#include "Actions/SelectionAction/ClearAllAtomsAction.hpp"
+#include "Actions/SelectionAction/ClearAllMoleculesAction.hpp"
 #include "Actions/SelectionAction/MoleculeByIdAction.hpp"
+#include "Actions/SelectionAction/MoleculeOfAtomAction.hpp"
 #include "Actions/SelectionAction/NotAllAtomsAction.hpp"
+#include "Actions/SelectionAction/NotAllAtomsInsideCuboidAction.hpp"
+#include "Actions/SelectionAction/NotAllAtomsInsideSphereAction.hpp"
+#include "Actions/SelectionAction/NotAllAtomsOfMoleculeAction.hpp"
 #include "Actions/SelectionAction/NotAllMoleculesAction.hpp"
 #include "Actions/SelectionAction/NotAtomByIdAction.hpp"
 #include "Actions/SelectionAction/NotMoleculeByIdAction.hpp"
+#include "Actions/SelectionAction/NotMoleculeOfAtomAction.hpp"
 #include "Actions/TesselationAction/ConvexEnvelopeAction.hpp"
 #include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp"
@@ -83 +93 @@
 #include "Actions/WorldAction/InputAction.hpp"
 #include "Actions/WorldAction/OutputAction.hpp"
-#include "Actions/WorldAction/RemoveSphereOfAtomsAction.hpp"
 #include "Actions/WorldAction/RepeatBoxAction.hpp"
 #include "Actions/WorldAction/ScaleBoxAction.hpp"
@@ -184 +193 @@
   DescriptionMap["change-element"] = "change the element of an atom";
   DescriptionMap["change-molname"] = "change the name of a molecule";
+  DescriptionMap["clear-atom-selection"] = "clear the atom selection";
+  DescriptionMap["clear-molecule-selection"] = "clear the molecule selection";
   DescriptionMap["convex-envelope"] = "create the convex envelope for a molecule";
   DescriptionMap["default-molname"] = "set the default name of new molecules";
@@ -202 +213 @@
   DescriptionMap["point-correlation"] = "pair correlation analysis between element and point";
   DescriptionMap["principal-axis-system"] = "calculate the principal axis system of the specified molecule";
+  DescriptionMap["redo"] = "redo last action";
   DescriptionMap["remove-atom"] = "remove a specified atom";
-  DescriptionMap["remove-sphere"] = "remove sphere of atoms of around a specified atom";
   DescriptionMap["repeat-box"] = "create periodic copies of the simulation box per axis";
-  DescriptionMap["rotate-origin"] = "rotates molecules by a specific angle around origin";
+  DescriptionMap["rotate-origin"] = "rotate selected atoms by a specific angle around origin";
   DescriptionMap["rotate-self"] = "rotates molecules by a specific angle around own center of gravity";
   DescriptionMap["rotate-to-pas"] = "calculate the principal axis system of the specified molecule and rotate specified axis to align with main axis";
@@ -216 +227 @@
   DescriptionMap["select-all-molecules"] = "select all molecules";
   DescriptionMap["select-atom-by-id"] = "select an atom by index";
+  DescriptionMap["select-atoms-inside-cuboid"] = "select all atoms inside a cuboid";
+  DescriptionMap["select-atoms-inside-sphere"] = "select all atoms inside a sphere";
   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";
   DescriptionMap["set-output"] = "specify output formats";
@@ -222 +237 @@
   DescriptionMap["surface-correlation"] = "pair correlation analysis between element and surface";
   DescriptionMap["suspend-in-water"] = "suspend the given molecule in water such that in the domain the mean density is as specified";
-  DescriptionMap["translate-mol"] = "translate molecule by given vector";
+  DescriptionMap["translate-atoms"] = "translate all selected atoms by given vector";
+  DescriptionMap["undo"] = "undo last action";
   DescriptionMap["unselect-all-atoms"] = "unselect all atoms";
   DescriptionMap["unselect-all-molecules"] = "unselect all molecules";
   DescriptionMap["unselect-atom-by-id"] = "unselect an atom by index";
+  DescriptionMap["unselect-atoms-inside-cuboid"] = "unselect all atoms inside a cuboid";
+  DescriptionMap["unselect-atoms-inside-sphere"] = "unselect all atoms inside a sphere";
   DescriptionMap["unselect-molecule-by-id"] = "unselect a molecule by index";
+  DescriptionMap["unselect-molecule-of-atom"] = "unselect a molecule to which a given atom belongs";
+  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";
@@ -279 +299 @@
   ShortFormMap["parse-xyz"] = "p";
   ShortFormMap["remove-atom"] = "r";
-  ShortFormMap["remove-sphere"] = "R";
   ShortFormMap["repeat-box"] = "d";
   ShortFormMap["rotate-to-pas"] = "m";
@@ -290 +309 @@
   ShortFormMap["subgraph-dissect"] = "I";
   ShortFormMap["suspend-in-water"] = "u";
-  ShortFormMap["translate-mol"] = "t";
+  ShortFormMap["translate-atoms"] = "t";
   ShortFormMap["verbose"] = "v";
   ShortFormMap["verlet-integrate"] = "P";
@@ -304 +323 @@
   TypeMap["change-element"] = &typeid(const element);
   TypeMap["change-molname"] = &typeid(std::string);
+  TypeMap["clear-atom-selection"] = &typeid(void);
+  TypeMap["clear-molecule-selection"] = &typeid(void);
   TypeMap["convex-envelope"] = &typeid(void);
   TypeMap["default-molname"] = &typeid(std::string);
@@ -320 +341 @@
   TypeMap["point-correlation"] = &typeid(void);
   TypeMap["principal-axis-system"] = &typeid(void);
+  TypeMap["redo"] = &typeid(void);
   TypeMap["remove-atom"] = &typeid(void);
-  TypeMap["remove-sphere"] = &typeid(double);
   TypeMap["repeat-box"] = &typeid(VectorValue);
   TypeMap["rotate-origin"] = &typeid(double);
@@ -330 +351 @@
   TypeMap["save-temperature"] = &typeid(std::string);
   TypeMap["scale-box"] = &typeid(VectorValue);
+  TypeMap["select-all-atoms"] = &typeid(void);
+  TypeMap["select-all-molecules"] = &typeid(void);
+  TypeMap["select-atom-by-id"] = &typeid(atom);
+  TypeMap["select-atoms-inside-cuboid"] = &typeid(VectorValue);
+  TypeMap["select-atoms-inside-sphere"] = &typeid(double);
+  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);
   TypeMap["set-output"] = &typeid(std::vector<std::string>);
@@ -335 +364 @@
   TypeMap["surface-correlation"] = &typeid(void);
   TypeMap["suspend-in-water"] = &typeid(double);
-  TypeMap["translate-mol"] = &typeid(VectorValue);
+  TypeMap["translate-atoms"] = &typeid(VectorValue);
+  TypeMap["undo"] = &typeid(void);
+  TypeMap["unselect-all-atoms"] = &typeid(void);
+  TypeMap["unselect-all-molecules"] = &typeid(void);
+  TypeMap["unselect-atom-by-id"] = &typeid(atom);
+  TypeMap["unselect-atoms-inside-cuboid"] = &typeid(VectorValue);
+  TypeMap["unselect-atoms-inside-sphere"] = &typeid(double);
+  TypeMap["unselect-molecule-by-id"] = &typeid(molecule);
+  TypeMap["unselect-molecule-of-atom"] = &typeid(atom);
+  TypeMap["unselect-molecules-atoms"] = &typeid(molecule);
   TypeMap["verlet-integrate"] = &typeid(std::string);
   TypeMap["verbose"] = &typeid(int);
@@ -361 +399 @@
   TypeMap["periodic"] = &typeid(bool);
   TypeMap["position"] = &typeid(VectorValue);
-  TypeMap["select-all-atoms"] = &typeid(void);
-  TypeMap["select-all-molecules"] = &typeid(void);
-  TypeMap["select-atom-by-id"] = &typeid(atom);
-  TypeMap["select-molecule-by-id"] = &typeid(molecule);
   TypeMap["start-step"] = &typeid(int);
-  TypeMap["unselect-all-atoms"] = &typeid(void);
-  TypeMap["unselect-all-molecules"] = &typeid(void);
-  TypeMap["unselect-atom-by-id"] = &typeid(atom);
-  TypeMap["unselect-molecule-by-id"] = &typeid(molecule);
 
   TypeEnumMap[&typeid(void)] = None;
@@ -414 +444 @@
   MenuContainsActionMap.insert( pair<std::string, std::string> ("atom", "change-element") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("atom", "remove-atom") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("atom", "translate-atoms") );
 
   MenuContainsActionMap.insert( pair<std::string, std::string> ("command", "bond-table") );
@@ -436 +467 @@
   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "save-temperature") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "suspend-in-water") );
-  MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "translate-mol") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("molecule", "verlet-integrate") );
 
@@ -442 +472 @@
   MenuContainsActionMap.insert( pair<std::string, std::string> ("parser", "SaveXyz") );
 
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "clear-atom-selection") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "clear-molecule-selection") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "select-all-atoms") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "select-all-molecules") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "select-atom-by-id") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "select-atoms-inside-cuboid") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "select-atoms-inside-sphere") );
   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") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "unselect-all-molecules") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "unselect-atom-by-id") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "unselect-atoms-inside-cuboid") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "unselect-atoms-inside-sphere") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "unselect-molecule-by-id") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "unselect-molecule-of-atom") );
+  MenuContainsActionMap.insert( pair<std::string, std::string> ("selection", "unselect-molecules-atoms") );
 
   MenuContainsActionMap.insert( pair<std::string, std::string> ("tesselation", "convex-envelope") );
@@ -457 +501 @@
   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "input") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "output") );
-  MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "remove-sphere") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "repeat-box") );
   MenuContainsActionMap.insert( pair<std::string, std::string> ("world", "scale-box") );
@@ -474 +517 @@
         generic.insert("change-box");
 //  generic.insert("change-molname");
-        generic.insert("change-element");
+  generic.insert("change-element");
+  generic.insert("clear-atom-selection");
+  generic.insert("clear-molecule-selection");
   generic.insert("convex-envelope");
         generic.insert("default-molname");
@@ -492 +537 @@
   generic.insert("point-correlation");
 //  generic.insert("principal-axis-system");
+  generic.insert("redo");
   generic.insert("remove-atom");
-  generic.insert("remove-sphere");
   generic.insert("repeat-box");
   generic.insert("rotate-origin");
@@ -505 +550 @@
   generic.insert("select-all-molecules");
   generic.insert("select-atom-by-id");
+  generic.insert("select-atoms-inside-cuboid");
+  generic.insert("select-atoms-inside-sphere");
   generic.insert("select-molecule-by-id");
+  generic.insert("select-molecule-of-atom");
+  generic.insert("select-molecules-atoms");
   generic.insert("set-basis");
   generic.insert("set-output");
@@ -511 +560 @@
   generic.insert("surface-correlation");
   generic.insert("suspend-in-water");
-  generic.insert("translate-mol");
+  generic.insert("translate-atoms");
+  generic.insert("undo");
   generic.insert("unselect-all-atoms");
   generic.insert("unselect-all-molecules");
   generic.insert("unselect-atom-by-id");
+  generic.insert("unselect-atoms-inside-cuboid");
+  generic.insert("unselect-atoms-inside-sphere");
   generic.insert("unselect-molecule-by-id");
+  generic.insert("unselect-molecule-of-atom");
+  generic.insert("unselect-molecules-atoms");
         generic.insert("verbose");
   generic.insert("verlet-integrate");
@@ -801 +855 @@
   new AtomChangeElementAction();
   new AtomRemoveAction();
+  new AtomRotateAroundOriginByAngleAction();
+  new AtomTranslateAction();
 
   new CommandLineBondLengthTableAction();
@@ -817 +873 @@
   new MoleculeFillWithMoleculeAction();
   new MoleculeLinearInterpolationofTrajectoriesAction();
-  new MoleculeRotateAroundOriginByAngleAction();
   new MoleculeRotateAroundSelfByAngleAction();
   new MoleculeRotateToPrincipalAxisSystemAction();
@@ -824 +879 @@
   new MoleculeSaveTemperatureAction();
   new MoleculeSuspendInWaterAction();
-  new MoleculeTranslateAction();
   new MoleculeVerletIntegrationAction();
 
@@ -830 +884 @@
   new ParserSaveXyzAction();
 
+  new SelectionClearAllAtomsAction();
+  new SelectionClearAllMoleculesAction();
   new SelectionAllAtomsAction();
+  new SelectionAllAtomsInsideCuboidAction();
+  new SelectionAllAtomsInsideSphereAction();
+  new SelectionAllAtomsOfMoleculeAction();
   new SelectionAllMoleculesAction();
   new SelectionAtomByIdAction();
   new SelectionMoleculeByIdAction();
+  new SelectionMoleculeOfAtomAction();
   new SelectionNotAllAtomsAction();
+  new SelectionNotAllAtomsInsideCuboidAction();
+  new SelectionNotAllAtomsInsideSphereAction();
+  new SelectionNotAllAtomsOfMoleculeAction();
   new SelectionNotAllMoleculesAction();
   new SelectionNotAtomByIdAction();
   new SelectionNotMoleculeByIdAction();
+  new SelectionNotMoleculeOfAtomAction();
 
   new TesselationConvexEnvelopeAction();
@@ -849 +913 @@
   new WorldInputAction();
   new WorldOutputAction();
-  new WorldRemoveSphereOfAtomsAction();
   new WorldRepeatBoxAction();
   new WorldScaleBoxAction();