Changes in src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp [112b09:e2b47c]

File:

• src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp (modified) (2 diffs)

src/Actions/WorldAction/RemoveSphereOfAtomsAction.cpp

@@ -6 +6 @@
  */
 
-#include "Helpers/MemDebug.hpp"
-
 #include "Actions/WorldAction/RemoveSphereOfAtomsAction.hpp"
-#include "CommandLineParser.hpp"
 #include "atom.hpp"
 #include "Descriptors/AtomDescriptor.hpp"
 #include "log.hpp"
+#include "molecule.hpp"
 #include "vector.hpp"
 #include "verbose.hpp"
@@ -38 +36 @@
   Dialog *dialog = UIFactory::getInstance().makeDialog();
   double radius = 0.;
-  atom *first = NULL;
+  Vector point;
 
   dialog->queryDouble(NAME, &radius, MapOfActions::getInstance().getDescription(NAME));
-  dialog->queryAtom("atom-by-id", &first, MapOfActions::getInstance().getDescription("atom-by-id"));
+  dialog->queryVector("position", &point, World::getInstance().getDomain(), false, MapOfActions::getInstance().getDescription("position"));
 
   if(dialog->display()) {
     delete dialog;
-    DoLog(1) && (Log() << Verbose(1) << "Removing atoms around " << first->nr << " with radius " << radius << "." << endl);
+    DoLog(1) && (Log() << Verbose(1) << "Removing atoms around " << point << " with radius " << radius << "." << endl);
     vector<atom*> AllAtoms = World::getInstance().getAllAtoms();
-    vector<atom*>::iterator AtomAdvancer = AllAtoms.begin();
-    for (vector<atom*>::iterator AtomRunner = AtomAdvancer; AtomRunner != AllAtoms.end(); ) {
-      ++AtomAdvancer;
-      if (first != *AtomRunner) // dont't destroy reference ...
-        if (first->x.DistanceSquared((*AtomRunner)->x) > radius*radius) // distance to first above radius ...
-          World::getInstance().destroyAtom(*AtomRunner);
+    vector<molecule *> molecules = World::getInstance().getAllMolecules();
+    for (vector<atom*>::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner) {
+      if (point.DistanceSquared((*AtomRunner)->x) > radius*radius) { // distance to first above radius ...
+        // TODO: This is not necessary anymore when atoms are completely handled by World (create/destroy and load/save)
+        for (vector<molecule *>::iterator iter = molecules.begin();iter != molecules.end();++iter)
+          (*iter)->erase(*AtomRunner);
+        World::getInstance().destroyAtom(*AtomRunner);
+      }
     }
-    World::getInstance().destroyAtom(first);
     return Action::success;
   } else {