Open Babel: parsmart.h File Reference

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# parsmart.h File Reference

Daylight SMARTS parser. More...

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

Go to the source code of this file.

## 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...
struct | ParseState
| A SMARTS parser internal state. More...
class | OBSmartsPattern
| SMARTS (SMiles ARbitrary Target Specification) substructure searching. More...
class | OBSmartsMatcher
| Internal class: performs matching; a wrapper around previous C matching code to make it thread safe. 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...
## Namespaces
namespace | OpenBabel
## 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
#define | BT_QUAD 0x0A
## 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 BE_LEAF 0x01

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

#define BE_ANDHI 0x02

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

#define BE_ANDLO 0x03

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

#define BE_NOT 0x04

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

#define BE_OR 0x05

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

#define BL_CONST 0x01

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

#define BL_TYPE 0x02

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

#define BT_SINGLE 0x01

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

#define BT_DOUBLE 0x02

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

#define BT_TRIPLE 0x03

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

#define BT_AROM 0x04

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

#define BT_UP 0x05

Referenced by OBSmartsMatcher::EvalBondExpr().

#define BT_DOWN 0x06

Referenced by OBSmartsMatcher::EvalBondExpr().

#define BT_UPUNSPEC 0x07

Referenced by OBSmartsMatcher::EvalBondExpr().

#define BT_DOWNUNSPEC 0x08

Referenced by OBSmartsMatcher::EvalBondExpr().

#define BT_RING 0x09

Referenced by OBSmartsMatcher::EvalBondExpr(), and OBSmartsPattern::ParseBondPrimitive().

#define BT_QUAD 0x0A

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

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