RDKit
Open-source cheminformatics and machine learning.
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Mancude.h File Reference
#include <vector>
#include <boost/rational.hpp>

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Namespaces

namespace  RDKit
 Std stuff.
 
namespace  RDKit::CIPLabeler
 

Enumerations

enum class  RDKit::CIPLabeler::Type {
  RDKit::CIPLabeler::Cv4D3 , RDKit::CIPLabeler::Nv3D2 , RDKit::CIPLabeler::Nv4D3Plus , RDKit::CIPLabeler::Nv2D2Minus ,
  RDKit::CIPLabeler::Cv3D3Minus , RDKit::CIPLabeler::Ov3D2Plus , RDKit::CIPLabeler::Other
}
 

Functions

std::vector< boost::rational< int > > RDKit::CIPLabeler::calcFracAtomNums (const CIPMol &mol)