Changes in src/linkedcell.hpp [f66195:0f4538]

File:

• src/linkedcell.hpp (modified) (2 diffs)

src/linkedcell.hpp

@@ -1 @@
-/*
- * linkedcell.hpp
- *
- *  If the linked cell should be usable, the class has to inherit LCNodeSet and the nodes (containing the Vectors) have to inherit LCNode. This works well
- *  for molecule and atom classes.
- *
- *  Created on: Aug 3, 2009
- *      Author: heber
- */
-
 #ifndef LINKEDCELL_HPP_
 #define LINKEDCELL_HPP_
-
-using namespace std;
-
-/*********************************************** includes ***********************************/
 
 // include config.h
@@ -21 +7 @@
 #endif
 
-#include <list>
+#include "molecules.hpp"
 
-#include "defs.hpp"
-#include "vector.hpp"
+#define LinkedAtoms list <atom *>
 
-/****************************************** forward declarations *****************************/
+class LinkedCell {
+        public:
+                Vector max;                      // upper boundary
+                Vector min;                      // lower boundary
+                LinkedAtoms *LC;        // linked cell list
+                double RADIUS;          // cell edge length
+                int N[NDIM];                    // number of cells per axis
+                int n[NDIM];                    // temporary variable for current cell per axis
+                int index;                              // temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];
 
-class PointCloud;
-class TesselPoint;
+                LinkedCell();
+                LinkedCell(molecule *mol, double RADIUS);
+                ~LinkedCell();
+                LinkedAtoms* GetCurrentCell();
+                bool SetIndexToAtom(const atom &Walker);
+                bool SetIndexToVector(const Vector *x);
+    void GetNeighbourBounds(int lower[NDIM], int upper[NDIM]);
+                bool CheckBounds();
 
-/********************************************** definitions *********************************/
-
-#define LinkedNodes list<TesselPoint *>
-
-/********************************************** declarations *******************************/
-
-/** Linked Cell class for containing Vectors in real space efficiently.
- */
-class LinkedCell {
-  public:
-    Vector max;       // upper boundary
-    Vector min;       // lower boundary
-    LinkedNodes *LC;  // linked cell list
-    double RADIUS;    // cell edge length
-    int N[NDIM];      // number of cells per axis
-    int n[NDIM];      // temporary variable for current cell per axis
-    int index;        // temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];
-
-    LinkedCell();
-    LinkedCell(PointCloud *set, double RADIUS);
-    LinkedCell(LinkedNodes *set, double radius);
-    ~LinkedCell();
-    LinkedNodes* GetCurrentCell();
-    bool SetIndexToNode(const TesselPoint *Walker);
-    bool SetIndexToVector(const Vector *x);
-    bool CheckBounds();
-    void GetNeighbourBounds(int lower[NDIM], int upper[NDIM]);
-
-    // not implemented yet
-    bool AddNode(Vector *Walker);
-    bool DeleteNode(Vector *Walker);
-    bool MoveNode(Vector *Walker);
+                // not implemented yet
+                bool AddAtom(atom *Walker);
+                bool DeleteAtom(atom *Walker);
+                bool MoveAtom(atom *Walker);
 };