Changeset 533838 for src/Actions/MapOfActions.cpp

Timestamp:

Jul 25, 2010, 7:07:06 PM (14 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:

023971

Parents:

e971c4 (diff), e2009b (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 'SelectionActions' into SplitDialogFromAction_performCall

Conflicts:

src/World.cpp
src/World.hpp

• World had two new functions isSelected() and countSelected...() which both were incorporated.
• CommandLineParser::Parse() did also add visible which is nonsense, only needed for help screen and prevented parsing of non-generic.

File:

• src/Actions/MapOfActions.cpp (modified) (9 diffs)

src/Actions/MapOfActions.cpp

@@ -64 +64 @@
 #include "Actions/ParserAction/LoadXyzAction.hpp"
 #include "Actions/ParserAction/SaveXyzAction.hpp"
+#include "Actions/SelectionAction/AtomByIdAction.hpp"
+#include "Actions/SelectionAction/MoleculeByIdAction.hpp"
+#include "Actions/SelectionAction/NotAtomByIdAction.hpp"
+#include "Actions/SelectionAction/NotMoleculeByIdAction.hpp"
 #include "Actions/TesselationAction/ConvexEnvelopeAction.hpp"
 #include "Actions/TesselationAction/NonConvexEnvelopeAction.hpp"
@@ -209 +213 @@
   DescriptionMap["version"] = "show version";
   // keys for values
-  DescriptionMap["atom-by-id"] = "index of an atom";
   DescriptionMap["bin-output-file"] = "name of the bin output file";
   DescriptionMap["bin-end"] = "start of the last bin";
@@ -233 +236 @@
   DescriptionMap["periodic"] = "system is constraint to periodic boundary conditions (y/n)";
   DescriptionMap["position"] = "position in R^3 space";
+  DescriptionMap["select-atom-by-id"] = "select an atom by index";
+  DescriptionMap["select-molecule-by-id"] = "select a molecule by index";
   DescriptionMap["sphere-radius"] = "radius of tesselation sphere";
   DescriptionMap["start-step"] = "first or start step";
+  DescriptionMap["unselect-atom-by-id"] = "unselect an atom by index";
+  DescriptionMap["unselect-molecule-by-id"] = "unselect a molecule by index";
 
   // short forms for the actions
@@ -317 +324 @@
 
   // value types for the values
-  TypeMap["atom-by-id"] = &typeid(atom);
   TypeMap["bin-output-file"] = &typeid(std::string);
   TypeMap["bin-end"] = &typeid(double);
@@ -340 +346 @@
   TypeMap["periodic"] = &typeid(bool);
   TypeMap["position"] = &typeid(VectorValue);
+  TypeMap["select-atom-by-id"] = &typeid(atom);
+  TypeMap["select-molecule-by-id"] = &typeid(molecule);
   TypeMap["sphere-radius"] = &typeid(double);
   TypeMap["start-step"] = &typeid(int);
+  TypeMap["unselect-atom-by-id"] = &typeid(atom);
+  TypeMap["unselect-molecule-by-id"] = &typeid(molecule);
 
   TypeEnumMap[&typeid(void)] = None;
@@ -474 +484 @@
     // positional arguments
   generic.insert("input");
-  inputfile.insert("input");
 
     // hidden arguments
-  generic.insert("atom-by-id");
-  generic.insert("bin-end");
-  generic.insert("bin-output-file");
-  generic.insert("bin-start");
-  generic.insert("bin-width");
-  generic.insert("convex-file");
-  generic.insert("distance");
-  generic.insert("DoRotate");
-  generic.insert("distances");
-  generic.insert("element");
-  generic.insert("elements");
-  generic.insert("end-step");
-  generic.insert("id-mapping");
-  generic.insert("lengths");
-  generic.insert("MaxDistance");
-  generic.insert("molecule-by-id");
-  generic.insert("molecule-by-name");
-  generic.insert("nonconvex-file");
-  generic.insert("order");
-  generic.insert("output-file");
-  generic.insert("periodic");
-  generic.insert("position");
-  generic.insert("sphere-radius");
-  generic.insert("start-step");
+  hidden.insert("bin-end");
+  hidden.insert("bin-output-file");
+  hidden.insert("bin-start");
+  hidden.insert("bin-width");
+  hidden.insert("convex-file");
+  hidden.insert("distance");
+  hidden.insert("DoRotate");
+  hidden.insert("distances");
+  hidden.insert("element");
+  hidden.insert("elements");
+  hidden.insert("end-step");
+  hidden.insert("id-mapping");
+  hidden.insert("lengths");
+  hidden.insert("MaxDistance");
+  hidden.insert("molecule-by-id");
+  hidden.insert("molecule-by-name");
+  hidden.insert("nonconvex-file");
+  hidden.insert("order");
+  hidden.insert("output-file");
+  hidden.insert("periodic");
+  hidden.insert("position");
+  hidden.insert("select-atom-by-id");
+  hidden.insert("select-molecule-by-id");
+  hidden.insert("sphere-radius");
+  hidden.insert("start-step");
+  hidden.insert("unselect-atom-by-id");
+  hidden.insert("unselect-molecule-by-id");
 }
 
@@ -779 +791 @@
   new ParserSaveXyzAction();
 
+  new SelectionAtomByIdAction();
+  new SelectionMoleculeByIdAction();
+  new SelectionNotAtomByIdAction();
+  new SelectionNotMoleculeByIdAction();
+
   new TesselationConvexEnvelopeAction();
   new TesselationNonConvexEnvelopeAction();
@@ -806 +823 @@
     for (set<string>::iterator OptionRunner = ListRunner->first->begin(); OptionRunner != ListRunner->first->end(); ++OptionRunner) {
       if (hasValue(*OptionRunner)) {
-        DoLog(3) && (Log() << Verbose(3) << "Adding option " << *OptionRunner << " with type " << TypeMap[*OptionRunner]->name() << " to CommandLineParser." << endl);
+        DoLog(0) && (Log() << Verbose(0) << "Adding option " << *OptionRunner << " with type " << TypeMap[*OptionRunner]->name() << " to CommandLineParser." << endl);
            switch(TypeEnumMap[TypeMap[*OptionRunner]]) {
           default:
@@ -947 +964 @@
     }
   }
-  // add positional arguments
-  for (set<string>::iterator OptionRunner = inputfile.begin(); OptionRunner != inputfile.end(); ++OptionRunner) {
-    DoLog(3) && (Log() << Verbose(3) << "Adding option " << *OptionRunner << " to positional CommandLineParser." << endl);
-    CommandLineParser::getInstance().inputfile.add((*OptionRunner).c_str(), -1);
-  }
-  cout << "Name for position 1: " << CommandLineParser::getInstance().inputfile.name_for_position(1) << endl;
 }