Changeset 677e13 for src/Actions/ParserAction

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

Location:

src/Actions/ParserAction

Files:

• LoadXyzAction.cpp (modified) (3 diffs)
• LoadXyzAction.hpp (modified) (2 diffs)
• SaveXyzAction.cpp (modified) (3 diffs)
• SaveXyzAction.hpp (modified) (2 diffs)

src/Actions/ParserAction/LoadXyzAction.cpp

@@ -11 +11 @@
 
 #include "Actions/ParserAction/LoadXyzAction.hpp"
+#include "Actions/ActionRegistry.hpp"
 #include "Parser/XyzParser.hpp"
+#include "atom.hpp"
+#include "log.hpp"
+#include "molecule.hpp"
+#include "verbose.hpp"
+#include "World.hpp"
 
 #include <iostream>
@@ -18 +24 @@
 #include <vector>
 
-
 #include "UIElements/UIFactory.hpp"
 #include "UIElements/Dialog.hpp"
-#include "Actions/MapOfActions.hpp"
-
-#include "atom.hpp"
-#include "log.hpp"
-#include "molecule.hpp"
-#include "verbose.hpp"
-#include "World.hpp"
+#include "UIElements/ValueStorage.hpp"
 
 /****** ParserLoadXyzAction *****/
@@ -52 +51 @@
 {}
 
+void ParserLoadXyz(std::string &filename) {
+  ValueStorage::getInstance().setCurrentValue(ParserLoadXyzAction::NAME, filename);
+  ActionRegistry::getInstance().getActionByName(ParserLoadXyzAction::NAME)->call(Action::NonInteractive);
+};
+
+Dialog* ParserLoadXyzAction::createDialog() {
+  Dialog *dialog = UIFactory::getInstance().makeDialog();
+
+  dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME));
+
+  return dialog;
+}
+
 Action::state_ptr ParserLoadXyzAction::performCall() {
   string filename;
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
 
-  dialog->queryString(NAME,&filename, NAME);
+  ValueStorage::getInstance().queryCurrentValue(NAME, filename);
 
-  if(dialog->display()) {
-    DoLog(1) && (Log() << Verbose(1) << "Parsing xyz file for new atoms." << endl);
-    // parse xyz file
-    ifstream input;
-    input.open(filename.c_str());
-    if (!input.fail()) {
-      // TODO: Remove the insertion into molecule when saving does not depend on them anymore. Also, remove molecule.hpp include
-      set <atom*> UniqueList;
-      {
-        vector<atom *> ListBefore = World::getInstance().getAllAtoms();
-        for (vector<atom *>::iterator runner = ListBefore.begin();runner != ListBefore.end(); ++runner)
-          UniqueList.insert(*runner);
+  DoLog(1) && (Log() << Verbose(1) << "Parsing xyz file for new atoms." << endl);
+  // parse xyz file
+  ifstream input;
+  input.open(filename.c_str());
+  if (!input.fail()) {
+    // TODO: Remove the insertion into molecule when saving does not depend on them anymore. Also, remove molecule.hpp include
+    set <atom*> UniqueList;
+    {
+      vector<atom *> ListBefore = World::getInstance().getAllAtoms();
+      for (vector<atom *>::iterator runner = ListBefore.begin();runner != ListBefore.end(); ++runner)
+        UniqueList.insert(*runner);
+    }
+    XyzParser parser; // briefly instantiate a parser which is removed at end of focus
+    parser.load(&input);
+    {
+      vector<atom *> ListAfter = World::getInstance().getAllAtoms();
+      pair< set<atom *>::iterator, bool > Inserter;
+      if (UniqueList.size() != ListAfter.size()) { // only create if new atoms have been parsed
+        MoleculeListClass *molecules = World::getInstance().getMolecules();
+        molecule *mol = World::getInstance().createMolecule();
+        molecules->insert(mol);
+        for (vector<atom *>::iterator runner = ListAfter.begin(); runner != ListAfter.end(); ++runner) {
+          Inserter = UniqueList.insert(*runner);
+          if (Inserter.second) { // if not present, then new (just parsed) atom, add ...
+            cout << "Adding new atom " << **runner << " to new mol." << endl;
+            mol->AddAtom(*runner);
+          }
+        }
+        mol->doCountAtoms();
+      } else {
+        cout << "No atoms parsed?" << endl;
       }
-      XyzParser parser; // briefly instantiate a parser which is removed at end of focus
-      parser.load(&input);
-      {
-        vector<atom *> ListAfter = World::getInstance().getAllAtoms();
-        pair< set<atom *>::iterator, bool > Inserter;
-        if (UniqueList.size() != ListAfter.size()) { // only create if new atoms have been parsed
-          MoleculeListClass *molecules = World::getInstance().getMolecules();
-          molecule *mol = World::getInstance().createMolecule();
-          molecules->insert(mol);
-          for (vector<atom *>::iterator runner = ListAfter.begin(); runner != ListAfter.end(); ++runner) {
-            Inserter = UniqueList.insert(*runner);
-            if (Inserter.second) { // if not present, then new (just parsed) atom, add ...
-              cout << "Adding new atom " << **runner << " to new mol." << endl;
-              mol->AddAtom(*runner);
-            }
-          }
-          mol->doCountAtoms();
-        } else {
-          cout << "No atoms parsed?" << endl;
-        }
-      }
-    } else {
-      DoeLog(1) && (eLog() << Verbose(1) << "Could not open file " << filename << "." << endl);
     }
-    input.close();
+  } else {
+    DoeLog(1) && (eLog() << Verbose(1) << "Could not open file " << filename << "." << endl);
   }
-  delete dialog;
-  return Action::failure;
+  input.close();
+  return Action::success;
 }
 

src/Actions/ParserAction/LoadXyzAction.hpp

@@ -12 +12 @@
 #include "Actions/Process.hpp"
 
+void ParserLoadXyz(std::string &filename);
+
 class ParserLoadXyzAction : public Action {
+  friend void ParserLoadXyz(std::string &filename);
+
 public:
   ParserLoadXyzAction();
@@ -22 +26 @@
   virtual const std::string getName();
 private:
+  virtual Dialog * createDialog();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);

src/Actions/ParserAction/SaveXyzAction.cpp

@@ -9 +9 @@
 
 #include "Actions/ParserAction/SaveXyzAction.hpp"
+#include "Actions/ActionRegistry.hpp"
 #include "Parser/XyzParser.hpp"
+#include "atom.hpp"
+#include "molecule.hpp"
 
 #include <iostream>
@@ -18 +21 @@
 #include "UIElements/UIFactory.hpp"
 #include "UIElements/Dialog.hpp"
-#include "Actions/MapOfActions.hpp"
+#include "UIElements/ValueStorage.hpp"
 
-#include "atom.hpp"
-#include "molecule.hpp"
 
 /****** ParserSaveXyzAction *****/
@@ -46 +47 @@
 {}
 
+void ParserSaveXyz(std::string &filename) {
+  ValueStorage::getInstance().setCurrentValue(ParserSaveXyzAction::NAME, filename);
+  ActionRegistry::getInstance().getActionByName(ParserSaveXyzAction::NAME)->call(Action::NonInteractive);
+};
+
+Dialog* ParserSaveXyzAction::createDialog() {
+  Dialog *dialog = UIFactory::getInstance().makeDialog();
+
+  dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME));
+
+  return dialog;
+}
+
 Action::state_ptr ParserSaveXyzAction::performCall() {
   string filename;
   XyzParser parser;
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
 
-  dialog->queryString("filename",&filename, "Filename of the xyz file");
+  ValueStorage::getInstance().queryCurrentValue(NAME, filename);
 
-  if(dialog->display()) {
-    // store xyz file
-    ofstream output;
-    output.open(filename.c_str());
-    if (!output.fail())
-      parser.save(&output);
-    output.close();
-  }
-  delete dialog;
+  // store xyz file
+  ofstream output;
+  output.open(filename.c_str());
+  if (!output.fail())
+    parser.save(&output);
+  output.close();
   return Action::failure;
 }

src/Actions/ParserAction/SaveXyzAction.hpp

@@ -12 +12 @@
 #include "Actions/Process.hpp"
 
+void ParserSaveXyz(std::string &filename);
+
 class ParserSaveXyzAction : public Action {
+  friend void ParserSaveXyz(std::string &filename);
+
 public:
   ParserSaveXyzAction();
@@ -22 +26 @@
   virtual const std::string getName();
 private:
+  virtual Dialog * createDialog();
   virtual Action::state_ptr performCall();
   virtual Action::state_ptr performUndo(Action::state_ptr);