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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>#include <Geometry/point.h>#include <GraphMol/Atom.h>#include <GraphMol/QueryAtom.h>#include <GraphMol/Bond.h>#include <GraphMol/QueryBond.h>#include <RDGeneral/StreamOps.h>#include <boost/utility/binary.hpp>#include <boost/variant.hpp>#include <Query/QueryObjects.h>#include <iostream>#include <string>#include <sstream>#include <exception>#include <cstdint>Go to the source code of this file.
Classes | |
| class | RDKit::MolPicklerException |
| used to indicate exceptions whilst pickling (serializing) molecules More... | |
| class | RDKit::MolPickler |
| handles pickling (serializing) molecules More... | |
Namespaces | |
| namespace | RDKit |
| Std stuff. | |
| namespace | RDKit::PicklerOps |
Typedefs | |
| using | RDKit::PicklerOps::QueryDetails = boost::variant< MolPickler::Tags, std::tuple< MolPickler::Tags, int32_t >, std::tuple< MolPickler::Tags, int32_t, int32_t >, std::tuple< MolPickler::Tags, int32_t, int32_t, int32_t, char >, std::tuple< MolPickler::Tags, std::set< int32_t > > > |
Enumerations | |
| enum | RDKit::PicklerOps::PropertyPickleOptions { RDKit::PicklerOps::NoProps = 0 , RDKit::PicklerOps::MolProps = 0x1 , RDKit::PicklerOps::AtomProps = 0x2 , RDKit::PicklerOps::BondProps = 0x4 , RDKit::PicklerOps::QueryAtomData , RDKit::PicklerOps::PrivateProps = 0x10 , RDKit::PicklerOps::ComputedProps = 0x20 , RDKit::PicklerOps::AllProps = 0x0000FFFF , RDKit::PicklerOps::CoordsAsDouble = 0x00010000 , RDKit::PicklerOps::NoConformers } |
Functions | |
| template<class T > | |
| QueryDetails | RDKit::PicklerOps::getQueryDetails (const Queries::Query< int, T const *, true > *query) |