Changes in src/molecule.cpp [6a3c83:575343]

File:

• src/molecule.cpp (modified) (12 diffs)

src/molecule.cpp

@@ -67 +67 @@
   last_atom(0)
 {
-  // add specific channels
-  Channels *OurChannel = new Channels;
-  NotificationChannels.insert( std::make_pair( this, OurChannel) );
-  for (size_t type = 0; type < (size_t)NotificationType_MAX; ++type)
-    OurChannel->addChannel(type);
 
   strcpy(name,World::getInstance().getDefaultName().c_str());
@@ -112 +107 @@
 void molecule::setName(const std::string _name){
   OBSERVE;
-  NOTIFY(MoleculeNameChanged);
   cout << "Set name of molecule " << getId() << " to " << _name << endl;
   strncpy(name,_name.c_str(),MAXSTRINGSIZE);
@@ -120 +114 @@
   OBSERVE;
   if(atomIdPool.reserveId(newNr)){
-    NOTIFY(AtomNrChanged);
     if (oldNr != -1)  // -1 is reserved and indicates no number
       atomIdPool.releaseId(oldNr);
@@ -179 +172 @@
 {
   OBSERVE;
-  NOTIFY(AtomRemoved);
   const_iterator iter = loc;
   ++iter;
   atom * const _atom = const_cast<atom *>(*loc);
   atomIds.erase( _atom->getId() );
-  {
-    NOTIFY(AtomNrChanged);
-    atomIdPool.releaseId(_atom->getNr());
-    _atom->setNr(-1);
-  }
   formula-=_atom->getType();
   _atom->removeFromMolecule();
@@ -197 +184 @@
 {
   OBSERVE;
-  NOTIFY(AtomRemoved);
   const_iterator iter = find(key);
   if (iter != end()){
     ++iter;
     atomIds.erase( key->getId() );
-    {
-      NOTIFY(AtomNrChanged);
-      atomIdPool.releaseId(key->getNr());
-      key->setNr(-1);
-    }
+    atomIdPool.releaseId(key->getNr());
+    key->setNr(-1);
     formula-=key->getType();
     key->removeFromMolecule();
@@ -216 +199 @@
 {
   OBSERVE;
-  NOTIFY(AtomInserted);
   std::pair<iterator,bool> res = atomIds.insert(key->getId());
   if (res.second) { // push atom if went well
-    NOTIFY(AtomNrChanged);
     key->setNr(atomIdPool.getNextId());
     setAtomName(key);
@@ -251 +232 @@
 bool molecule::AddAtom(atom *pointer)
 {
+  OBSERVE;
   if (pointer != NULL) {
     insert(pointer);
@@ -266 +248 @@
 {
   atom *retval = NULL;
+  OBSERVE;
   if (pointer != NULL) {
     atom *walker = pointer->clone();
@@ -315 +298 @@
 //  Info info(__func__);
   bool AllWentWell = true;    // flag gathering the boolean return value of molecule::AddAtom and other functions, as return value on exit
+  OBSERVE;
   double bondlength;  // bond length of the bond to be replaced/cut
   double bondangle;  // bond angle of the bond to be replaced/cut
@@ -672 +656 @@
 bond * molecule::AddBond(atom *atom1, atom *atom2, int degree)
 {
+  OBSERVE;
   bond *Binder = NULL;
 
@@ -729 +714 @@
 void molecule::SetNameFromFilename(const char *filename)
 {
+  OBSERVE;
   int length = 0;
   const char *molname = strrchr(filename, '/');
@@ -763 +749 @@
 {
   ASSERT(pointer, "Null pointer passed to molecule::RemoveAtom().");
+  OBSERVE;
   RemoveBonds(pointer);
   pointer->removeFromMolecule();