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 > > &)


Detailed Description

Daylight SMARTS parser.


Define Documentation

#define BL_TYPE   0x02

#define BT_UP   0x05

#define BT_DOWN   0x06

#define BT_UPUNSPEC   0x07

#define BT_DOWNUNSPEC   0x08