Pattern Struct Reference

A SMARTS parser internal pattern. More...

#include <openbabel/parsmart.h>

List of all members.

Public Attributes
int	aalloc
int	acount
int	balloc
int	bcount
bool	ischiral
AtomSpec *	atom
BondSpec *	bond
int	parts
bool	hasExplicitH
std::vector< int >	bond_parse_order

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Detailed Description

A SMARTS parser internal pattern.

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Member Data Documentation

int aalloc

Referenced by OpenBabel::AllocPattern(), OpenBabel::CreateAtom(), and OpenBabel::FreePattern().

int acount

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

int balloc

Referenced by OpenBabel::AllocPattern(), OpenBabel::CreateBond(), and OpenBabel::FreePattern().

int bcount

Referenced by OpenBabel::AllocPattern(), OpenBabel::CopyPattern(), OpenBabel::CreateBond(), OBSmartsMatcher::FastSingleMatch(), OpenBabel::FreePattern(), OpenBabel::MarkGrowBonds(), and OBSmartsMatcher::match().

bool ischiral

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

AtomSpec* atom

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

BondSpec* bond

Referenced by OpenBabel::AllocPattern(), OpenBabel::CopyPattern(), OpenBabel::CreateBond(), OBSmartsMatcher::FastSingleMatch(), OpenBabel::FreePattern(), OpenBabel::MarkGrowBonds(), and OBSmartsMatcher::match().

int parts

Referenced by OpenBabel::AllocPattern(), OpenBabel::CopyPattern(), and OBSmartsPattern::ParseSMARTSPattern().

bool hasExplicitH

Referenced by OpenBabel::AllocPattern(), and OBSmartsPattern::SMARTSParser().

std::vector<int> bond_parse_order

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

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

• parsmart.h