Changes in src/molecule.cpp [24a5e0:46d958]

File:

• src/molecule.cpp (modified) (4 diffs)

src/molecule.cpp

@@ -34 +34 @@
   first(new bond(start, end, 1, -1)), last(new bond(start, end, 1, -1)), MDSteps(0), AtomCount(0), 
   BondCount(0), ElementCount(0), NoNonHydrogen(0), NoNonBonds(0), NoCyclicBonds(0), BondDistance(0.), 
-  ActiveFlag(false), IndexNr(-1),
-  formula(this,boost::bind(&molecule::calcFormula,this)),
-  last_atom(0),
-  InternalPointer(start)
+  ActiveFlag(false), IndexNr(-1), last_atom(0), InternalPointer(start),
+  formula(this,boost::bind(&molecule::calcFormula,this))
 {
   // init atom chain list
@@ -55 +53 @@
 };
 
-molecule *NewMolecule(){
-  return new molecule(World::get()->getPeriode());
-}
-
 /** Destructor of class molecule.
  * Initialises molecule list with correctly referenced start and end, and sets molecule::last_atom to zero.
@@ -72 +66 @@
 
 
-void DeleteMolecule(molecule *mol){
-  delete mol;
-}
-
 // getter and setter
 const std::string molecule::getName(){
@@ -84 +74 @@
   OBSERVE;
   strncpy(name,_name.c_str(),MAXSTRINGSIZE);
-}
-
-moleculeId_t molecule::getId(){
-  return id;
-}
-
-void molecule::setId(moleculeId_t _id){
-  id =_id;
 }