CanonicalizeStereoGroups.h File Reference

#include <RDGeneral/export.h>
#include <string>
#include <vector>
#include <memory>
#include <cstdint>
#include <limits>

Go to the source code of this file.

Classes
class	RDKit::RigorousEnhancedStereoException

Namespaces
namespace	RDKit
	Std stuff.

Enumerations
enum class	RDKit::StereoGroupAbsOptions { RDKit::OnlyIncludeWhenOtherGroupsExist , RDKit::NeverInclude , RDKit::AlwaysInclude }

Functions
RDKIT_SMILESPARSE_EXPORT void	RDKit::canonicalizeStereoGroups (std::unique_ptr< ROMol > &mol, StereoGroupAbsOptions outputAbsoluteGroups=StereoGroupAbsOptions::OnlyIncludeWhenOtherGroupsExist, unsigned int maxStereoGroups=12)