Changes in src/Actions/WorldAction/CenterOnEdgeAction.cpp [952f38:bcf653]

File:

• src/Actions/WorldAction/CenterOnEdgeAction.cpp (modified) (4 diffs)

src/Actions/WorldAction/CenterOnEdgeAction.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.
+ */
+
 /*
  * CenterOnEdgeAction.cpp
@@ -5 +12 @@
  *      Author: heber
  */
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
 
 #include "Helpers/MemDebug.hpp"
@@ -55 +67 @@
   ASSERT(AllAtoms.size() > 0, "For CenteronEdge atoms must be present.");
   vector<atom *>::iterator AtomRunner = AllAtoms.begin();
-  Min = (*AtomRunner)->x;
-  Max = (*AtomRunner)->x;
+  Min = (*AtomRunner)->getPosition();
+  Max = (*AtomRunner)->getPosition();
   for (; AtomRunner != AllAtoms.end(); ++AtomRunner) {
     for (int i=0;i<NDIM;i++) {
-      if ((*AtomRunner)->x[i] > Max[i])
-        Max[i] = (*AtomRunner)->x[i];
-      if ((*AtomRunner)->x[i] < Min[i])
-        Min[i] = (*AtomRunner)->x[i];
+      if ((*AtomRunner)->at(i) > Max[i])
+        Max[i] = (*AtomRunner)->at(i);
+      if ((*AtomRunner)->at(i) < Min[i])
+        Min[i] = (*AtomRunner)->at(i);
     }
   }
@@ -75 +87 @@
   // translate all atoms, such that Min is aty (0,0,0)
   for (vector<atom*>::iterator AtomRunner = AllAtoms.begin(); AtomRunner != AllAtoms.end(); ++AtomRunner)
-    (*AtomRunner)->x -= Min;
+    *(*AtomRunner) -= Min;
 
   return Action::success;