Changeset 677e13 for src/Actions/AnalysisAction/MolecularVolumeAction.cpp

Timestamp:

Jul 28, 2010, 9:21:14 AM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

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:

400170, a7b777c

Parents:

7067bd6 (diff), 0430e3 (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 'stable' into StructureRefactoring

Conflicts:

src/Makefile.am

File:

• src/Actions/AnalysisAction/MolecularVolumeAction.cpp (modified) (4 diffs)

src/Actions/AnalysisAction/MolecularVolumeAction.cpp

@@ -9 +9 @@
 
 #include "Actions/AnalysisAction/MolecularVolumeAction.hpp"
+#include "Actions/ActionRegistry.hpp"
 #include "boundary.hpp"
 #include "config.hpp"
@@ -24 +25 @@
 #include "UIElements/UIFactory.hpp"
 #include "UIElements/Dialog.hpp"
-#include "Actions/MapOfActions.hpp"
+#include "UIElements/ValueStorage.hpp"
 
 const char AnalysisMolecularVolumeAction::NAME[] = "molecular-volume";
@@ -35 +36 @@
 {}
 
+void AnalysisMolecularVolume() {
+  ActionRegistry::getInstance().getActionByName(AnalysisMolecularVolumeAction::NAME)->call(Action::NonInteractive);
+};
+
+Dialog * AnalysisMolecularVolumeAction::createDialog() {
+  Dialog *dialog = UIFactory::getInstance().makeDialog();
+
+  dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME));
+
+  return dialog;
+}
+
 Action::state_ptr AnalysisMolecularVolumeAction::performCall() {
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
-  molecule *mol = NULL;
+  int molID = -1;
+  // obtain information
+  ValueStorage::getInstance().queryCurrentValue(NAME, molID);
 
-  dialog->queryMolecule(NAME, &mol, MapOfActions::getInstance().getDescription(NAME));
-
-  if(dialog->display()) {
+  // execute action
+  for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
+    molecule *mol = iter->second;
     class Tesselation *TesselStruct = NULL;
     const LinkedCell *LCList = NULL;
@@ -57 +71 @@
     delete(TesselStruct);
     delete(LCList);
-    delete dialog;
-    return Action::success;
-  } else {
-    delete dialog;
-    return Action::failure;
   }
+  return Action::success;
 }
 
 Action::state_ptr AnalysisMolecularVolumeAction::performUndo(Action::state_ptr _state) {
-//  ParserLoadXyzState *state = assert_cast<ParserLoadXyzState*>(_state.get());
-
-  return Action::failure;
-//  string newName = state->mol->getName();
-//  state->mol->setName(state->lastName);
-//
-//  return Action::state_ptr(new ParserLoadXyzState(state->mol,newName));
+  return Action::success;
 }
 
 Action::state_ptr AnalysisMolecularVolumeAction::performRedo(Action::state_ptr _state){
-  return Action::failure;
+  return Action::success;
 }
 
 bool AnalysisMolecularVolumeAction::canUndo() {
-  return false;
+  return true;
 }
 
 bool AnalysisMolecularVolumeAction::shouldUndo() {
-  return false;
+  return true;
 }