Changes in src/Bond/BondInfo.cpp [5aaa43:c26617]

File:

• src/Bond/BondInfo.cpp (modified) (2 diffs)

src/Bond/BondInfo.cpp

@@ -61 +61 @@
   atom * const rightatom = World::getInstance().getAtom(AtomById(rightid));
   if ((leftatom == NULL) || (rightatom == NULL)) {
-    ELOG(1, "Either of the two atoms " << leftid << " or "
-        << rightid << " does not exists in the world.");
+//    LOG(3, "DEBUG: Either of the two atoms " << leftid << " or "
+//        << rightid << " does not exist in the world.");
     return false;
   }
   const BondList &leftbonds = leftatom->getListOfBonds();
-  boost::function< bool (const bond::ptr )> predicate =
-      boost::bind(static_cast<bool (bond::*)(const int) const>(&bond::Contains), _1, rightid);
-  if (std::find_if(leftbonds.begin(), leftbonds.end(), predicate) != leftbonds.end())
-    return false;
-
   const BondList &rightbonds = rightatom->getListOfBonds();
-  if (std::find_if(rightbonds.begin(), rightbonds.end(), predicate) != rightbonds.end())
-    return false;
+  boost::function< bool (const bond::ptr )> leftpredicate =
+      boost::bind(static_cast<bool (bond::*)(const atomId_t) const>(&bond::ContainsId), _1, rightid);
+  boost::function< bool (const bond::ptr )> rightpredicate =
+      boost::bind(static_cast<bool (bond::*)(const atomId_t) const>(&bond::ContainsId), _1, leftid);
+  if ((std::find_if(leftbonds.begin(), leftbonds.end(), leftpredicate) != leftbonds.end())
+      || (std::find_if(rightbonds.begin(), rightbonds.end(), rightpredicate) != rightbonds.end())) {
+//    LOG(3, "DEBUG: Bond between atoms " << leftid << " or "111
+//        << rightid << " is already present in the world.");
+    return true;
+  }
 
   // create bond
@@ -81 +84 @@
   return true;
 }
+
+void BondInfo::RemoveBond() const
+{
+  atom * leftatom = World::getInstance().getAtom(AtomById(leftid));
+  atom * rightatom = World::getInstance().getAtom(AtomById(rightid));
+  leftatom->removeBond(rightatom);
+}