RDKit
Open-source cheminformatics and machine learning.
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#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) |