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RDKit
Open-source cheminformatics and machine learning.
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Defines the class StereoGroup which stores relationships between the absolute configurations of atoms within a structure. More...
Go to the source code of this file.
Classes | |
class | RDKit::StereoGroup |
Namespaces | |
RDKit | |
Std stuff. | |
Enumerations | |
enum | RDKit::StereoGroupType { RDKit::StereoGroupType::STEREO_ABSOLUTE = 0, RDKit::StereoGroupType::STEREO_OR = 1, RDKit::StereoGroupType::STEREO_AND = 2 } |
Functions | |
RDKIT_GRAPHMOL_EXPORT void | RDKit::removeGroupsWithAtom (const Atom *atom, std::vector< StereoGroup > &groups) |
RDKIT_GRAPHMOL_EXPORT void | RDKit::removeGroupsWithAtoms (const std::vector< Atom * > &atoms, std::vector< StereoGroup > &groups) |
Defines the class StereoGroup which stores relationships between the absolute configurations of atoms within a structure.
Definition in file StereoGroup.h.