Changeset 14d898 for molecuilder/src/World.cpp

Timestamp:

Mar 3, 2010, 3:46:03 PM (15 years ago)

Author:

Tillmann Crueger <crueger@…>

Children:

3746aeb

Parents:

78b9d9

Message:

Added methods for querying molecules using descriptors

File:

• molecuilder/src/World.cpp (modified) (4 diffs)

molecuilder/src/World.cpp

@@ -13 +13 @@
 #include "Descriptors/AtomDescriptor.hpp"
 #include "Descriptors/AtomDescriptor_impl.hpp"
+#include "Descriptors/MoleculeDescriptor.hpp"
+#include "Descriptors/MoleculeDescriptor_impl.hpp"
 #include "Actions/ManipulateAtomsProcess.hpp"
 
@@ -22 +24 @@
 }
 
+// Atoms
+
 atom* World::getAtom(AtomDescriptor descriptor){
   return descriptor.find();
@@ -36 +40 @@
 int World::numAtoms(){
   return atoms.size();
+}
+
+// Molecules
+
+molecule *World::getMolecule(MoleculeDescriptor descriptor){
+  return descriptor.find();
+}
+
+std::vector<molecule*> World::getAllMolecules(MoleculeDescriptor descriptor){
+  return descriptor.findAll();
 }
 
@@ -135 +149 @@
 World::AtomSet::iterator World::atomEnd(){
   return atoms.end();
+}
+
+World::MoleculeIterator World::getMoleculeIter(MoleculeDescriptor descr){
+  return MoleculeIterator(descr,this);
+}
+
+World::MoleculeSet::iterator World::moleculeEnd(){
+  return molecules.end();
 }