Changes in src/molecule.cpp [0a5beb:a7aebd]

File:

• src/molecule.cpp (modified) (5 diffs)

src/molecule.cpp

@@ -35 +35 @@
 #include "CodePatterns/MemDebug.hpp"
 
-#include <algorithm>
+#include <cstring>
 #include <boost/bind.hpp>
 #include <boost/foreach.hpp>
-#include <cstring>
 
 #include <gsl/gsl_inline.h>
@@ -103 +102 @@
 molecule::~molecule()
 {
-  // inform all UI elements about imminent removal before anything is lost
-  {
-    OBSERVE;
-    NOTIFY(AboutToBeRemoved);
-  }
   CleanupMolecule();
 };
@@ -654 +648 @@
 void removeAtomsinMolecule(molecule *&_mol)
 {
-  // copy list of atoms from molecule as it will be changed
-  std::vector<atom *> atoms;
-  atoms.resize(_mol->getAtomCount(), NULL);
-  std::copy(_mol->begin(), _mol->end(), atoms.begin());
   // remove each atom from world
-  for(std::vector<atom *>::iterator AtomRunner = atoms.begin();
-      AtomRunner != atoms.end(); ++AtomRunner)
+  for(molecule::iterator AtomRunner = _mol->begin(); !_mol->empty(); AtomRunner = _mol->begin())
     World::getInstance().destroyAtom(*AtomRunner);
   // make sure that pointer os not usable
@@ -945 +934 @@
     output << "Map is ";
     for (molecule::const_iterator iter = begin(); iter != end(); ++iter) {
-      if ((*iter)->getFather() == NULL) {
+      if ((*iter)->father == NULL) {
         AtomicMap[(*iter)->getNr()] = -2;
       } else {
@@ -951 +940 @@
       //for (int i=0;i<AtomCount;i++) { // search atom
         //for (int j=0;j<OtherMolecule->getAtomCount();j++) {
-          //LOG(4, "Comparing father " << (*iter)->getFather() << " with the other one " << (*runner)->getFather() << ".");
-          if ((*iter)->getFather() == (*runner))
+          //LOG(4, "Comparing father " << (*iter)->father << " with the other one " << (*runner)->father << ".");
+          if ((*iter)->father == (*runner))
             AtomicMap[(*iter)->getNr()] = (*runner)->getNr();
         }