RDKit
Open-source cheminformatics and machine learning.
MolPickler.h File Reference
#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>

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Classes

class  RDKit::MolPicklerException
 used to indicate exceptions whilst pickling (serializing) molecules More...
 
class  RDKit::MolPickler
 handles pickling (serializing) molecules More...
 

Namespaces

 RDKit
 Std stuff.
 
 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)