Changeset 973c03 for molecuilder/src/Descriptors/AtomIdDescriptor.cpp

Timestamp:

Feb 8, 2010, 4:23:03 PM (16 years ago)

Author:

Tillmann Crueger <crueger@…>

Children:

323177

Parents:

86b917

Message:

Improved Descriptor mechanism to allow calculations using descriptors.

File:

• molecuilder/src/Descriptors/AtomIdDescriptor.cpp (modified) (2 diffs)

molecuilder/src/Descriptors/AtomIdDescriptor.cpp

@@ -19 +19 @@
 {}
 
+bool AtomIdDescriptor::predicate(std::pair<int,atom*> atom) {
+  return atom.second->getId()==id;
+}
+
+AtomDescriptor::desc_ptr AtomIdDescriptor::clone() const{
+  return desc_ptr(new AtomIdDescriptor(id));
+}
+
+#if 0
+
+// so far the lookuptable for Atoms-by-id does not work, since atoms don't get an ID upon creation.
+// instead of this we rely on walking through all atoms.
 
 atom *AtomIdDescriptor::find(){
@@ -30 +42 @@
   return (res)?(vector<atom*>(1,res)):(vector<atom*>());
 }
+
+#endif