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 |
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) |