parsmart.h File Reference

Daylight SMARTS parser. More...

#include <string>
#include <vector>
#include <openbabel/mol.h>

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Namespaces
namespace	OpenBabel
Classes
union	_AtomExpr
	An internal (SMARTS parser) atomic expression. More...
union	_BondExpr
	An internal (SMARTS parser) bond expression. More...
struct	BondSpec
	An internal (SMARTS parser) bond specification. More...
struct	AtomSpec
	An internal (SMARTS parser) atom specification. More...
struct	Pattern
	A SMARTS parser internal pattern. More...
class	OBSmartsPattern
	SMARTS (SMiles ARbitrary Target Specification) substructure searching. More...
class	OBSSMatch
	Internal class: performs fast, exhaustive matching used to find just a single match in match() using recursion and explicit stack handling. More...
Defines
#define	BE_LEAF   0x01
#define	BE_ANDHI   0x02
#define	BE_ANDLO   0x03
#define	BE_NOT   0x04
#define	BE_OR   0x05
#define	BL_CONST   0x01
#define	BL_TYPE   0x02
#define	BT_SINGLE   0x01
#define	BT_DOUBLE   0x02
#define	BT_TRIPLE   0x03
#define	BT_AROM   0x04
#define	BT_UP   0x05
#define	BT_DOWN   0x06
#define	BT_UPUNSPEC   0x07
#define	BT_DOWNUNSPEC   0x08
#define	BT_RING   0x09
Typedefs
typedef union OpenBabel::_AtomExpr	AtomExpr
typedef union OpenBabel::_BondExpr	BondExpr
Functions
void	SmartsLexReplace (std::string &, std::vector< std::pair< std::string, std::string > > &)

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Detailed Description

Daylight SMARTS parser.

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Define Documentation

#define BE_LEAF   0x01

Referenced by OpenBabel::BuildBondLeaf(), OpenBabel::EvalBondExpr(), OpenBabel::GetBondExprIndex(), and OpenBabel::GetExprOrder().

#define BE_ANDHI   0x02

Referenced by OpenBabel::EvalBondExpr(), OpenBabel::FreeBondExpr(), OpenBabel::GetBondExprIndex(), OpenBabel::GetExprOrder(), and OpenBabel::ParseBondExpr().

#define BE_ANDLO   0x03

Referenced by OpenBabel::EvalBondExpr(), OpenBabel::FreeBondExpr(), OpenBabel::GetBondExprIndex(), OpenBabel::GetExprOrder(), and OpenBabel::ParseBondExpr().

#define BE_NOT   0x04

Referenced by OpenBabel::BuildBondNot(), OpenBabel::EvalBondExpr(), OpenBabel::FreeBondExpr(), OpenBabel::GetBondExprIndex(), and OpenBabel::GetExprOrder().

#define BE_OR   0x05

Referenced by OpenBabel::EvalBondExpr(), OpenBabel::FreeBondExpr(), OpenBabel::GenerateDefaultBond(), OpenBabel::GetBondExprIndex(), OpenBabel::GetExprOrder(), and OpenBabel::ParseBondExpr().

#define BL_CONST   0x01

Referenced by OpenBabel::EvalBondExpr(), OpenBabel::GetBondLeafIndex(), OpenBabel::GetExprOrder(), and OpenBabel::ParseBondPrimitive().

#define BL_TYPE   0x02

Referenced by OpenBabel::GenerateDefaultBond(), and OpenBabel::ParseBondPrimitive().

#define BT_SINGLE   0x01

Referenced by OpenBabel::EvalBondExpr(), OpenBabel::GenerateDefaultBond(), OpenBabel::GetBondLeafIndex(), OpenBabel::GetExprOrder(), and OpenBabel::ParseBondPrimitive().

#define BT_DOUBLE   0x02

Referenced by OpenBabel::EvalBondExpr(), OpenBabel::GetBondLeafIndex(), OpenBabel::GetExprOrder(), and OpenBabel::ParseBondPrimitive().

#define BT_TRIPLE   0x03

Referenced by OpenBabel::EvalBondExpr(), OpenBabel::GetBondLeafIndex(), OpenBabel::GetExprOrder(), and OpenBabel::ParseBondPrimitive().

#define BT_AROM   0x04

Referenced by OpenBabel::EvalBondExpr(), OpenBabel::GenerateDefaultBond(), OpenBabel::GetBondLeafIndex(), OpenBabel::GetExprOrder(), and OpenBabel::ParseBondPrimitive().

#define BT_UP   0x05

Referenced by OpenBabel::EvalBondExpr(), and OpenBabel::GetBondLeafIndex().

#define BT_DOWN   0x06

Referenced by OpenBabel::EvalBondExpr(), and OpenBabel::GetBondLeafIndex().

#define BT_UPUNSPEC   0x07

Referenced by OpenBabel::EvalBondExpr(), and OpenBabel::GetBondLeafIndex().

#define BT_DOWNUNSPEC   0x08

Referenced by OpenBabel::EvalBondExpr(), and OpenBabel::GetBondLeafIndex().

#define BT_RING   0x09

Referenced by OpenBabel::EvalBondExpr(), OpenBabel::GetBondLeafIndex(), and OpenBabel::ParseBondPrimitive().