gcu::AtomMatchState Class Reference

#include <gcu/atom.h>

Public Attributes
std::map< Atom *, int >	mol1
std::map< Atom *, int >	mol2
std::vector< AtomPair >	atoms

Detailed Description

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

Definition at line 358 of file gcu/atom.h.

Member Data Documentation

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

The array of matched atoms.

Definition at line 375 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 365 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 370 of file gcu/atom.h.

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

• gcu/atom.h