Changes in src/linkedcell.hpp [042f82:0f4538]

File:

• src/linkedcell.hpp (modified) (1 diff)

src/linkedcell.hpp

@@ -11 +11 @@
 #define LinkedAtoms list <atom *>
 
-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 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];
 
-    LinkedCell();
-    LinkedCell(molecule *mol, double RADIUS);
-    ~LinkedCell();
-    LinkedAtoms* GetCurrentCell();
-    bool SetIndexToAtom(atom *Walker);
-    bool SetIndexToVector(Vector *x);
-    bool CheckBounds();
+                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();
 
-    // not implemented yet
-    bool AddAtom(atom *Walker);
-    bool DeleteAtom(atom *Walker);
-    bool MoveAtom(atom *Walker);
+                // not implemented yet
+                bool AddAtom(atom *Walker);
+                bool DeleteAtom(atom *Walker);
+                bool MoveAtom(atom *Walker);
 };