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RDKit
Open-source cheminformatics and machine learning.
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#include <string>#include <vector>#include <boost/smart_ptr.hpp>Go to the source code of this file.
Classes | |
| class | RDKit::SLNParse::AttribType |
Namespaces | |
| RDKit | |
| Includes a bunch of functionality for handling Atom and Bond queries. | |
| 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 More... | |
| 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 More... | |
| 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 More... | |
| void | RDKit::SLNParse::adjustAtomChiralities (RWMol *mol) |