RDKit
Open-source cheminformatics and machine learning.
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CIPLabeler.h File Reference
#include <boost/dynamic_bitset.hpp>
#include <RDGeneral/export.h>

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Classes

class  RDKit::CIPLabeler::MaxIterationsExceeded
 

Namespaces

namespace  RDKit
 Std stuff.
 
namespace  RDKit::CIPLabeler_detail
 
namespace  RDKit::CIPLabeler
 

Functions

RDKIT_CIPLABELER_EXPORT bool RDKit::CIPLabeler_detail::decrementRemainingCallCountAndCheck ()
 
RDKIT_CIPLABELER_EXPORT void RDKit::CIPLabeler::assignCIPLabels (ROMol &mol, unsigned int maxRecursiveIterations=0)
 
RDKIT_CIPLABELER_EXPORT void RDKit::CIPLabeler::assignCIPLabels (ROMol &mol, const boost::dynamic_bitset<> &atoms, const boost::dynamic_bitset<> &bonds, unsigned int maxRecursiveIterations=0)