Changes in src/Actions/MoleculeAction/VerletIntegrationAction.cpp [112b09:047878]

File:

• src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified) (3 diffs)

src/Actions/MoleculeAction/VerletIntegrationAction.cpp

@@ -9 +9 @@
 
 #include "Actions/MoleculeAction/VerletIntegrationAction.hpp"
+#include "Actions/ActionRegistry.hpp"
+#include "log.hpp"
+#include "molecule.hpp"
+#include "verbose.hpp"
+#include "World.hpp"
 
 #include <iostream>
@@ -18 +23 @@
 #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"
 
 /****** MoleculeVerletIntegrationAction *****/
@@ -49 +48 @@
 {}
 
+void MoleculeVerletIntegration(std::string &forcesfile) {
+  ValueStorage::getInstance().setCurrentValue(MoleculeVerletIntegrationAction::NAME, forcesfile);
+  ActionRegistry::getInstance().getActionByName(MoleculeVerletIntegrationAction::NAME)->call(Action::NonInteractive);
+};
+
+Dialog* MoleculeVerletIntegrationAction::fillDialog(Dialog *dialog) {
+  ASSERT(dialog,"No Dialog given when filling action dialog");
+
+  dialog->queryString(NAME, ValueStorage::getInstance().getDescription(NAME));
+
+  return dialog;
+}
+
 Action::state_ptr MoleculeVerletIntegrationAction::performCall() {
   string filename;
-  Dialog *dialog = UIFactory::getInstance().makeDialog();
   molecule *mol = NULL;
 
-  dialog->queryString(NAME, &filename, MapOfActions::getInstance().getDescription(NAME));
-  dialog->queryMolecule("molecule-by-id", &mol, MapOfActions::getInstance().getDescription("molecule-by-id"));
+  ValueStorage::getInstance().queryCurrentValue(NAME, filename);
 
-  if(dialog->display()) {
+  for (World::MoleculeSelectionIterator iter = World::getInstance().beginMoleculeSelection(); iter != World::getInstance().endMoleculeSelection(); ++iter) {
+    mol = iter->second;
     DoLog(1) && (Log() << Verbose(1) << "Parsing forces file and Verlet integrating." << endl);
     // TODO: sollte besser stream nutzen, nicht filename direkt (es sei denn, ist prefix), besser fuer unit test
     char outputname[MAXSTRINGSIZE];
     strcpy(outputname, filename.c_str());
-    if (!mol->VerletForceIntegration(outputname, *(World::getInstance().getConfig())))
+    if (!mol->VerletForceIntegration(outputname, *(World::getInstance().getConfig()), 0))
       DoLog(2) && (Log() << Verbose(2) << "File not found." << endl);
     else
       DoLog(2) && (Log() << Verbose(2) << "File found and parsed." << endl);
-
-    delete dialog;
-    return Action::success;
   }
-  delete dialog;
-  return Action::failure;
+  return Action::success;
 }