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

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Namespaces

 RDKit
 Std stuff.
 
 RDKit::MolInterchange
 

Variables

static const int RDKit::MolInterchange::currentMolJSONVersion = 10
 
static const int RDKit::MolInterchange::currentRDKitRepresentationVersion = 1
 
static const int RDKit::MolInterchange::currentChargeRepresentationVersion = 10
 
static const std::map< std::string, Atom::ChiralType > RDKit::MolInterchange::chilookup
 
static const std::map< Atom::ChiralType, std::string > RDKit::MolInterchange::inv_chilookup
 
static const std::map< unsigned int, Bond::BondType > RDKit::MolInterchange::bolookup
 
static const std::map< Bond::BondType, unsigned int > RDKit::MolInterchange::inv_bolookup
 
static const std::map< std::string, Bond::BondStereoRDKit::MolInterchange::stereolookup
 
static const std::map< Bond::BondStereo, std::string > RDKit::MolInterchange::inv_stereolookup