Changeset 677e13 for src/Actions/AtomAction

Timestamp:

Jul 28, 2010, 9:21:14 AM (16 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, Candidate_v1.7.0, Candidate_v1.7.1, 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

Location:

src/Actions/AtomAction

Files:

• AddAction.cpp (modified) (3 diffs)
• AddAction.hpp (modified) (2 diffs)
• ChangeElementAction.cpp (modified) (3 diffs)
• ChangeElementAction.hpp (modified) (2 diffs)
• RemoveAction.cpp (modified) (3 diffs)
• RemoveAction.hpp (modified) (2 diffs)

src/Actions/AtomAction/AddAction.cpp

@@ -9 +9 @@
 
 #include "Actions/AtomAction/AddAction.hpp"
+#include "Actions/ActionRegistry.hpp"
 #include "atom.hpp"
 #include "element.hpp"
@@ -24 +25 @@
 #include "UIElements/UIFactory.hpp"
 #include "UIElements/Dialog.hpp"
-#include "Actions/MapOfActions.hpp"
+#include "UIElements/ValueStorage.hpp"
 
 const char AtomAddAction::NAME[] = "add-atom";
@@ -35 +36 @@
 {}
 
+void AtomAdd(element *elemental, Vector &position) {
+  ValueStorage::getInstance().setCurrentValue(AtomAddAction::NAME, elemental);
+  ValueStorage::getInstance().setCurrentValue("position", elemental);
+  ActionRegistry::getInstance().getActionByName(AtomAddAction::NAME)->call(Action::NonInteractive);
+};
+
+Dialog * AtomAddAction::createDialog() {
+  Dialog *dialog = UIFactory::getInstance().makeDialog();
+
+  dialog->queryElement(NAME, ValueStorage::getInstance().getDescription(NAME));
+  dialog->queryVector("position", true, ValueStorage::getInstance().getDescription("position"));
+
+  return dialog;
+}
+
 Action::state_ptr AtomAddAction::performCall() {
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
-  std::vector<element *> elements;
+  element * elemental = NULL;
   Vector position;
 
-  dialog->queryElement(NAME, &elements, MapOfActions::getInstance().getDescription(NAME));
-  dialog->queryVector("position", &position, true, MapOfActions::getInstance().getDescription("position"));
-  cout << "pre-dialog" << endl;
+  // obtain information
+  ValueStorage::getInstance().queryCurrentValue(NAME, elemental);
+  ValueStorage::getInstance().queryCurrentValue("position", position);
 
-  if(dialog->display()) {
-    cout << "post-dialog" << endl;
-    delete dialog;
-    if (elements.size() == 1) {
-      atom * first = World::getInstance().createAtom();
-      first->type = *(elements.begin());
-      first->x = position;
-      DoLog(1) && (Log() << Verbose(1) << "Adding new atom with element " << first->type->name << " at " << (first->x) << "." << endl);
-      // TODO: remove when all of World's atoms are stored.
-      std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
-      if (!molecules.empty()) {
-        std::vector<molecule *>::iterator iter = molecules.begin();
-        (*iter)->AddAtom(first);
-      }
-      return Action::success;
-    } else {
-      DoeLog(1) && (eLog()<< Verbose(1) << "Could not find the specified element." << endl);
-      return Action::failure;
-    }
-  } else {
-    delete dialog;
-    return Action::failure;
+  // execute action
+  atom * first = World::getInstance().createAtom();
+  first->type = elemental;
+  first->x = position;
+  DoLog(1) && (Log() << Verbose(1) << "Adding new atom with element " << first->type->name << " at " << (first->x) << "." << endl);
+  // TODO: remove when all of World's atoms are stored.
+  std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
+  if (!molecules.empty()) {
+    std::vector<molecule *>::iterator iter = molecules.begin();
+    (*iter)->AddAtom(first);
   }
-
+  return Action::success;
 }
 

src/Actions/AtomAction/AddAction.hpp

@@ -10 +10 @@
 
 #include "Actions/Action.hpp"
+#include "vector.hpp"
+
+class element;
+
+void AtomAdd(element *elemental, Vector &position);
 
 class AtomAddAction : public Action {
+  friend void AtomAdd(element *elemental, Vector &position);
+
 public:
   AtomAddAction();
@@ -21 +28 @@
   virtual const std::string getName();
 private:
+  virtual Dialog * createDialog();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/AtomAction/ChangeElementAction.cpp

@@ -9 +9 @@
 
 #include "Actions/AtomAction/ChangeElementAction.hpp"
+#include "Actions/ActionRegistry.hpp"
 #include "atom.hpp"
+#include "element.hpp"
 #include "log.hpp"
 #include "vector.hpp"
@@ -22 +24 @@
 #include "UIElements/UIFactory.hpp"
 #include "UIElements/Dialog.hpp"
-#include "Actions/MapOfActions.hpp"
+#include "UIElements/ValueStorage.hpp"
 
 const char AtomChangeElementAction::NAME[] = "change-element";
@@ -33 +35 @@
 {}
 
+void AtomChangeElement(element *elemental) {
+  ValueStorage::getInstance().setCurrentValue(AtomChangeElementAction::NAME, elemental);
+  ActionRegistry::getInstance().getActionByName(AtomChangeElementAction::NAME)->call(Action::NonInteractive);
+};
+
+Dialog* AtomChangeElementAction::createDialog() {
+  Dialog *dialog = UIFactory::getInstance().makeDialog();
+
+  dialog->queryElement(NAME, ValueStorage::getInstance().getDescription(NAME));
+
+return dialog;
+}
+
 Action::state_ptr AtomChangeElementAction::performCall() {
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
   atom *first = NULL;
-  std::vector<element *> elements;
+  element *elemental = NULL;
 
-  dialog->queryElement(NAME, &elements, MapOfActions::getInstance().getDescription(NAME));
-  dialog->queryAtom("atom-by-id", &first, MapOfActions::getInstance().getDescription("atom-by-id"));
+  ValueStorage::getInstance().queryCurrentValue(NAME, elemental);
 
-  if(dialog->display()) {
-    delete dialog;
-    ASSERT(elements.size() == 1, "Unequal to one element specified when changing an atom's element");
-    ASSERT(first != NULL, "No valid atom specified");
-    DoLog(1) && (Log() << Verbose(1) << "Changing atom " << *first << " to element " << elements.at(0) << "." << endl);
-    if (elements.at(0) != NULL) {
-      first->type = elements.at(0);
-      return Action::success;
-    } else
-      return Action::failure;
-  } else {
-    delete dialog;
-    return Action::failure;
+  for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
+    first = iter->second;
+    DoLog(1) && (Log() << Verbose(1) << "Changing atom " << *first << " to element " << elemental->symbol << "." << endl);
+    first->type = elemental;
   }
-
+  return Action::success;
 }
 

src/Actions/AtomAction/ChangeElementAction.hpp

@@ -11 +11 @@
 #include "Actions/Action.hpp"
 
+class element;
+
+void AtomChangeElement(element *elemental);
+
 class AtomChangeElementAction : public Action {
+  friend void AtomChangeElement(element *elemental);
+
 public:
   AtomChangeElementAction();
@@ -21 +27 @@
   virtual const std::string getName();
 private:
+  virtual Dialog * createDialog();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/AtomAction/RemoveAction.cpp

@@ -9 +9 @@
 
 #include "Actions/AtomAction/RemoveAction.hpp"
+#include "Actions/ActionRegistry.hpp"
 #include "atom.hpp"
 #include "Descriptors/AtomDescriptor.hpp"
@@ -23 +24 @@
 #include "UIElements/UIFactory.hpp"
 #include "UIElements/Dialog.hpp"
-#include "Actions/MapOfActions.hpp"
+#include "UIElements/ValueStorage.hpp"
 
 const char AtomRemoveAction::NAME[] = "remove-atom";
@@ -34 +35 @@
 {}
 
+void AtomRemove() {
+  ActionRegistry::getInstance().getActionByName(AtomRemoveAction::NAME)->call(Action::NonInteractive);
+};
+
+Dialog* AtomRemoveAction::createDialog() {
+  Dialog *dialog = UIFactory::getInstance().makeDialog();
+
+  dialog->queryEmpty(NAME, ValueStorage::getInstance().getDescription(NAME));
+
+  return dialog;
+}
+
 Action::state_ptr AtomRemoveAction::performCall() {
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
   atom *first = NULL;
 
-  dialog->queryAtom(NAME, &first, MapOfActions::getInstance().getDescription(NAME));
-
-  if(dialog->display()) {
-    delete dialog;
+  std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
+  for (World::AtomSelectionIterator iter = World::getInstance().beginAtomSelection(); iter != World::getInstance().endAtomSelection(); ++iter) {
+    first = iter->second;
     DoLog(1) && (Log() << Verbose(1) << "Removing atom " << first->getId() << "." << endl);
     // TODO: this is not necessary when atoms and their storing to file are handled by the World
     // simply try to erase in every molecule found
-    std::vector<molecule *> molecules = World::getInstance().getAllMolecules();
     for (std::vector<molecule *>::iterator iter = molecules.begin();iter != molecules.end(); ++iter) {
       (*iter)->erase(first);
     }
     World::getInstance().destroyAtom(first);
-    return Action::success;
-  } else {
-    delete dialog;
-    return Action::failure;
   }
-
+  return Action::success;
 }
 

src/Actions/AtomAction/RemoveAction.hpp

@@ -11 +11 @@
 #include "Actions/Action.hpp"
 
+void AtomRemove();
+
 class AtomRemoveAction : public Action {
+  friend void AtomRemove();
+
 public:
   AtomRemoveAction();
@@ -21 +25 @@
   virtual const std::string getName();
 private:
+  virtual Dialog * createDialog();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);