src

parsmart.h File Reference

Daylight SMARTS parser. More...

#include <string>
#include <vector>
#include "mol.h"

Go to the source code of this file.

Namespaces

namespace  OpenBabel

Classes

union  _AtomExpr
 A SMARTS parser internal atomic expression. More...
union  _BondExpr
 A SMARTS parser internal bond expression. More...
struct  BondSpec
 A SMARTS parser internal bond specification. More...
struct  AtomSpec
 A SMARTS parser internal bond specification. More...
struct  Pattern
 A SMARTS parser internal pattern. More...
class  OBSmartsPattern
 SMARTS (SMiles ARbitrary Target Specification) substructure searching. More...
class  OBSSMatch
 Performs fast, exhaustive matching used to find just a single match in match() using recursion and explicit stack handling. More...

Defines

#define AE_LEAF   0x01
#define AE_RECUR   0x02
#define AE_NOT   0x03
#define AE_ANDHI   0x04
#define AE_OR   0x05
#define AE_ANDLO   0x06
#define AL_CONST   0x01
#define AL_MASS   0x02
#define AL_AROM   0x03
#define AL_ELEM   0x04
#define AL_HCOUNT   0x05
#define AL_NEGATIVE   0x06
#define AL_POSITIVE   0x07
#define AL_CONNECT   0x08
#define AL_DEGREE   0x09
#define AL_IMPLICIT   0x0a
#define AL_RINGS   0x0b
#define AL_SIZE   0x0c
#define AL_VALENCE   0x0d
#define AL_CHIRAL   0x0e
#define AL_HYB   0x0f
#define AL_CLOCKWISE   1
#define AL_ANTICLOCKWISE   2
#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 OpenBabel::_AtomExpr AtomExpr
 A SMARTS parser internal atomic expression.
typedef OpenBabel::_BondExpr BondExpr
 A SMARTS parser internal bond expression.

Functions

void SmartsLexReplace (std::string &, std::vector< std::pair< std::string, std::string > > &)

Detailed Description

Daylight SMARTS parser.

Define Documentation

#define AE_LEAF   0x01

#define AE_RECUR   0x02

#define AE_NOT   0x03

#define AE_ANDHI   0x04

#define AE_OR   0x05

#define AE_ANDLO   0x06

#define AL_CONST   0x01

#define AL_MASS   0x02

#define AL_AROM   0x03

#define AL_ELEM   0x04

#define AL_HCOUNT   0x05

#define AL_NEGATIVE   0x06

#define AL_POSITIVE   0x07

#define AL_CONNECT   0x08

#define AL_DEGREE   0x09

#define AL_IMPLICIT   0x0a

#define AL_RINGS   0x0b

#define AL_SIZE   0x0c

#define AL_VALENCE   0x0d

#define AL_CHIRAL   0x0e

#define AL_HYB   0x0f

#define AL_CLOCKWISE   1

#define AL_ANTICLOCKWISE   2

#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