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

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Classes

class  RDKit::CIPLabeler::FractionalAtomicNum

Namespaces

namespace  RDKit
 Std stuff.
namespace  RDKit::CIPLabeler

Functions

std::vector< FractionalAtomicNum > RDKit::CIPLabeler::calcFracAtomNums (const CIPMol &mol)