Changes in src/Actions/ParserAction/LoadXyzAction.cpp [952f38:bcf653]

File:

• src/Actions/ParserAction/LoadXyzAction.cpp (modified) (3 diffs)

src/Actions/ParserAction/LoadXyzAction.cpp

@@ +1 @@
+/*
+ * Project: MoleCuilder
+ * Description: creates and alters molecular systems
+ * Copyright (C)  2010 University of Bonn. All rights reserved.
+ * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
+ */
+
 /*
  * LoadXyzAction.cpp
@@ -5 +12 @@
  *      Author: heber
  */
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
 
 #include "Helpers/MemDebug.hpp"
@@ -74 +86 @@
   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;
-      }
-    }
   } else {
     DoeLog(1) && (eLog() << Verbose(1) << "Could not open file " << filename << "." << endl);