gcu::AtomMatchState Class Reference

#include <gcu/atom.h>

List of all members.

Public Attributes

std::map< Atom *, int > mol1
std::map< Atom *, int > mol2
std::vector< AtomPairatoms

Detailed Description

This class is used when comparing molecules to store lists of corresponding atoms.

Definition at line 317 of file gcu/atom.h.


Member Data Documentation

The array of matched atoms.

Definition at line 334 of file gcu/atom.h.

This map gives the index of atoms from the first molecule in gcu::AtomMatchState::atoms.

Definition at line 324 of file gcu/atom.h.

This map gives the index of atoms from the second molecule in gcu::AtomMatchState::atoms.

Definition at line 329 of file gcu/atom.h.


The documentation for this class was generated from the following file:

Generated on Thu Dec 31 11:27:50 2009 for The Gnome Chemistry Utils by  doxygen 1.6.1