Changes in src/molecule.hpp [ac9b56:24a5e0]

File:

• src/molecule.hpp (modified) (7 diffs)

src/molecule.hpp

@@ -29 +29 @@
 #include <string>
 
+#include "defs.hpp"
 #include "graph.hpp"
 #include "stackclass.hpp"
@@ -85 +86 @@
  */
 class molecule : public PointCloud , public Observable {
+  friend molecule *NewMolecule();
+  friend void DeleteMolecule(molecule *);
   public:
     double cell_size[6];//!< cell size
@@ -108 +111 @@
   private:
     Cacheable<string> formula;
+    moleculeId_t id;
+  protected:
+    molecule(const periodentafel * const teil);
+    virtual ~molecule();
+
 
 public:
-  molecule(const periodentafel * const teil);
-  virtual ~molecule();
-
   //getter and setter
   const std::string getName();
+  moleculeId_t getId();
+  void setId(moleculeId_t);
   void setName(const std::string);
   const std::string getFormula();
   std::string calcFormula();
+
 
   // re-definition of virtual functions from PointCloud
@@ -321 +329 @@
 };
 
+molecule *NewMolecule();
+void DeleteMolecule(molecule* mol);
+
 #include "molecule_template.hpp"
 
@@ -330 +341 @@
     int MaxIndex;
 
-  MoleculeListClass();
+  MoleculeListClass(World *world);
   ~MoleculeListClass();
 
@@ -339 +350 @@
   bool OutputConfigForListOfFragments(config *configuration, int *SortIndex);
   int NumberOfActiveMolecules();
-  void Enumerate(ofstream *out);
+  void Enumerate(ostream *out);
   void Output(ofstream *out);
   void DissectMoleculeIntoConnectedSubgraphs(const periodentafel * const periode, config * const configuration);
@@ -363 +374 @@
 
   private:
+  World *world; //!< The world this List belongs to. Needed to avoid deadlocks in the destructor
 };