#include <openbabel/parsmart.h>
Public Attributes | |
int | aalloc |
int | acount |
int | balloc |
int | bcount |
bool | ischiral |
AtomSpec * | atom |
BondSpec * | bond |
int | parts |
bool | hasExplicitH |
int aalloc |
Referenced by OpenBabel::AllocPattern(), OpenBabel::CreateAtom(), and OpenBabel::FreePattern().
int acount |
int balloc |
Referenced by OpenBabel::AllocPattern(), OpenBabel::CreateBond(), and OpenBabel::FreePattern().
int bcount |
bool ischiral |
Referenced by OpenBabel::match(), and OpenBabel::ParseSMARTSPart().
Referenced by OpenBabel::AllocPattern(), OpenBabel::ConstrainRecursion(), OpenBabel::CopyPattern(), OpenBabel::CreateAtom(), OpenBabel::FastSingleMatch(), OpenBabel::FreePattern(), OBSmartsPattern::GetAtomicNum(), OBSmartsPattern::GetCharge(), OBSSMatch::Match(), OpenBabel::match(), OpenBabel::ParseSMARTSPart(), OpenBabel::SetupAtomMatchTable(), and OpenBabel::TraverseSMARTS().
int parts |
Referenced by OpenBabel::AllocPattern(), OpenBabel::CopyPattern(), and OpenBabel::ParseSMARTSPattern().
bool hasExplicitH |
Referenced by OpenBabel::AllocPattern(), OBSmartsPattern::Match(), and OpenBabel::SMARTSParser().