Changes in src/Parser/XyzParser.cpp [bcf653:97b825]

File:

• src/Parser/XyzParser.cpp (modified) (4 diffs)

src/Parser/XyzParser.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.
- */
-
 /*
  * XyzParser.cpp
@@ -12 +5 @@
  *      Author: metzler
  */
-
-// include config.h
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
 
 #include "Helpers/MemDebug.hpp"
@@ -63 +51 @@
   newmol = World::getInstance().createMolecule();
   newmol->ActiveFlag = true;
-  // TODO: Remove the insertion into molecule when saving does not depend on them anymore. Also, remove molecule.hpp include
   World::getInstance().getMolecules()->insert(newmol);
   for (int i = 0; i < numberOfAtoms; i++) {
@@ -99 +86 @@
   vector<atom*> atoms = World::getInstance().getAllAtoms();
   for(vector<atom*>::iterator it = atoms.begin(); it != atoms.end(); it++) {
-    *file << noshowpoint << (*it)->getType()->getSymbol() << "\t" << (*it)->at(0) << "\t" << (*it)->at(1) << "\t" << (*it)->at(2) << endl;
+    *file << noshowpoint << (*it)->getType()->symbol << "\t" << (*it)->at(0) << "\t" << (*it)->at(1) << "\t" << (*it)->at(2) << endl;
   }
 }