Changes in src/atom.hpp [ead4e6:6cfa36]

File:

• src/atom.hpp (modified) (4 diffs)

src/atom.hpp

@@ -34 +34 @@
 class Vector;
 class World;
+class molecule;
 
 /********************************************** declarations *******************************/
@@ -44 +45 @@
   friend void  DeleteAtom(atom*);
   public:
-    atom *previous; //!< previous atom in molecule list
-    atom *next;     //!< next atom in molecule list
     atom *father;   //!< In many-body bond order fragmentations points to originating atom
     int *sort;      //!< sort criteria
@@ -89 +88 @@
    virtual void setId(atomId_t);
 
+   void setMolecule(molecule*);
+   void removeFromMolecule();
+
   protected:
+
     /**
      * Protected constructor to ensure construction of atoms through the world.
@@ -108 +111 @@
     virtual ~atom();
   private:
+    molecule *mol; // !< the molecule this atom belongs to
     World* world;
     atomId_t id;