RDKit
Open-source cheminformatics and machine learning.
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details.h File Reference
#include <RDGeneral/export.h>
#include <GraphMol/Atom.h>
#include <GraphMol/Bond.h>
#include <GraphMol/StereoGroup.h>

Go to the source code of this file.

Namespaces

namespace  RDKit
 Std stuff.
 
namespace  RDKit::MolInterchange
 

Variables

constexpr int RDKit::MolInterchange::currentMolJSONVersion = 10
 
constexpr int RDKit::MolInterchange::currentRDKitJSONVersion = 11
 
constexpr int RDKit::MolInterchange::currentRDKitRepresentationVersion = 2
 
constexpr int RDKit::MolInterchange::currentChargeRepresentationVersion = 10
 
constexpr int RDKit::MolInterchange::currentQueryRepresentationVersion = 10
 
static const std::map< std::string, Atom::ChiralTypeRDKit::MolInterchange::chilookup
 
static const std::map< Atom::ChiralType, std::string > RDKit::MolInterchange::inv_chilookup
 
static const std::map< unsigned int, Bond::BondTypeRDKit::MolInterchange::bolookup
 
static const std::map< Bond::BondType, unsigned intRDKit::MolInterchange::inv_bolookup
 
static const std::map< std::string, Bond::BondStereoRDKit::MolInterchange::stereoBondlookup
 
static const std::map< Bond::BondStereo, std::string > RDKit::MolInterchange::inv_stereoBondlookup
 
static const std::map< std::string, StereoGroupTypeRDKit::MolInterchange::stereoGrouplookup
 
static const std::map< StereoGroupType, std::string > RDKit::MolInterchange::inv_stereoGrouplookup