The Gnome Chemistry Utils  0.15.1
Public Attributes | List of all members
gcu::AtomMatchState Class Reference

#include <gcu/atom.h>

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 365 of file gcu/atom.h.

Member Data Documentation

std::vector<AtomPair> gcu::AtomMatchState::atoms

The array of matched atoms.

Definition at line 382 of file gcu/atom.h.

std::map<Atom*, int> gcu::AtomMatchState::mol1

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

Definition at line 372 of file gcu/atom.h.

std::map<Atom*, int> gcu::AtomMatchState::mol2

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

Definition at line 377 of file gcu/atom.h.


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