Changes in src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp [c89fb4:83f176]

File:

• src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.cpp (modified) (4 diffs)

src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.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.
+ */
+
 /*
  * RotateToPrincipalAxisSystemAction.cpp
@@ -5 +12 @@
  *      Author: heber
  */
+
+// include config.h
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
 
 #include "Helpers/MemDebug.hpp"
@@ -85 +97 @@
       Vector x = (*iter)->getPosition();
       x -= *CenterOfGravity;
-      const double mass = (*iter)->getType()->mass;
+      const double mass = (*iter)->getType()->getMass();
       InertiaTensor.at(0,0) += mass*(x[1]*x[1] + x[2]*x[2]);
       InertiaTensor.at(0,1) += mass*(-x[0]*x[1]);
@@ -136 +148 @@
       Vector x = (*iter)->getPosition();
       x -= *CenterOfGravity;
-      const double mass = (*iter)->getType()->mass;
+      const double mass = (*iter)->getType()->getMass();
       InertiaTensor.at(0,0) += mass*(x[1]*x[1] + x[2]*x[2]);
       InertiaTensor.at(0,1) += mass*(-x[0]*x[1]);