Changeset 8f8621 for molecuilder/src/molecules.hpp

Timestamp:

Aug 6, 2008, 9:02:01 AM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

67f102

Parents:

0a08df

Message:

Rename of class vector to Vector to avoid conflict with vector from STL.

File:

• molecuilder/src/molecules.hpp (modified) (4 diffs)

molecuilder/src/molecules.hpp

@@ -73 +73 @@
  */
 struct LSQ_params {
-  vector **vectors;
+  Vector **vectors;
   int num;
 };
@@ -94 +94 @@
 class atom {
   public:
-    vector x;       //!< coordinate array of atom, giving position within cell
-    vector v;       //!< velocity array of atom
+    Vector x;       //!< coordinate array of atom, giving position within cell
+    Vector v;       //!< velocity array of atom
     element *type;  //!< pointing to element
     atom *previous; //!< previous atom in molecule list
@@ -212 +212 @@
   void CountElements();
   void CalculateOrbitals(class config &configuration);
-  bool CenterInBox(ofstream *out, vector *BoxLengths);
-  void CenterEdge(ofstream *out, vector *max); 
-  void CenterOrigin(ofstream *out, vector *max); 
-  void CenterGravity(ofstream *out, vector *max);
-  void Translate(const vector *x);
-  void Mirror(const vector *x);
-  void Align(vector *n);
+  bool CenterInBox(ofstream *out, Vector *BoxLengths);
+  void CenterEdge(ofstream *out, Vector *max); 
+  void CenterOrigin(ofstream *out, Vector *max); 
+  void CenterGravity(ofstream *out, Vector *max);
+  void Translate(const Vector *x);
+  void Mirror(const Vector *x);
+  void Align(Vector *n);
   void Scale(double **factor);
-  void DetermineCenter(vector &center);
-  vector * DetermineCenterOfGravity(ofstream *out);
-  void SetBoxDimension(vector *dim);
+  void DetermineCenter(Vector &center);
+  Vector * DetermineCenterOfGravity(ofstream *out);
+  void SetBoxDimension(Vector *dim);
   double * ReturnFullMatrixforSymmetric(double *cell_size);
   void ScanForPeriodicCorrection(ofstream *out);
@@ -229 +229 @@
         bool VerletForceIntegration(char *file, double delta_t);
         
-  bool CheckBounds(const vector *x) const;
+  bool CheckBounds(const Vector *x) const;
   void GetAlignvector(struct lsq_params * par) const;