RDKit
Open-source cheminformatics and machine learning.
SLNAttribs.h File Reference
#include <string>
#include <vector>
#include <boost/smart_ptr.hpp>

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Classes

class  RDKit::SLNParse::AttribType

Namespaces

namespace  RDKit
 

Includes a bunch of functionality for handling Atom and Bond queries.


namespace  RDKit::SLNParse

Typedefs

typedef std::vector< std::pair
< AttribCombineOp,
boost::shared_ptr< AttribType > > > 
RDKit::SLNParse::AttribListType

Enumerations

enum  RDKit::SLNParse::AttribCombineOp { RDKit::SLNParse::AttribLowPriAnd = 0, RDKit::SLNParse::AttribOr, RDKit::SLNParse::AttribAnd, RDKit::SLNParse::AttribNot }

Functions

void RDKit::SLNParse::parseAtomAttribs (Atom *atom, AttribListType attribs, bool doingQuery)
 parses the attributes provided for an atom and sets
void RDKit::SLNParse::parseFinalAtomAttribs (Atom *atom, bool doingQuery)
void RDKit::SLNParse::parseBondAttribs (Bond *bond, AttribListType attribs, bool doingQuery)
 parses the attributes provided for a bond and sets
void RDKit::SLNParse::parseFinalBondAttribs (Bond *bond, bool doingQuery)
void RDKit::SLNParse::parseMolAttribs (ROMol *mol, AttribListType attribs)
 parses the attributes provided for a ctab and sets
void RDKit::SLNParse::adjustAtomChiralities (RWMol *mol)
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