AtomSpec Struct Reference

#include <openbabel/parsmart.h>

Public Attributes
AtomExpr *	expr
int	visit
int	part
int	chiral_flag
int	vb
std::vector< int >	nbrs

Detailed Description

An internal (SMARTS parser) atom specification.

Member Data Documentation

expr

AtomExpr* expr

Referenced by OpenBabel::CopyPattern(), OpenBabel::CreateAtom(), OBSmartsMatcher::FastSingleMatch(), OpenBabel::FreePattern(), OBSmartsPattern::ParseSMARTSPart(), and OBSmartsMatcher::SetupAtomMatchTable().

visit

int visit

part

int part

Referenced by OpenBabel::CopyPattern(), and OpenBabel::CreateAtom().

chiral_flag

int chiral_flag

Referenced by OBSmartsMatcher::match(), and OBSmartsPattern::ParseSMARTSPart().

vb

int vb

Referenced by OpenBabel::CreateAtom(), and OBSmartsPattern::GetVectorBinding().

nbrs

std::vector<int> nbrs

Referenced by OBSmartsMatcher::match(), and OBSmartsPattern::SMARTSParser().

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

• parsmart.h