#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 OpenBabel::_AtomExpr | AtomExpr |
typedef OpenBabel::_BondExpr | BondExpr |
Functions | |
void | SmartsLexReplace (std::string &, std::vector< std::pair< std::string, std::string > > &) |
#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 |