MacroAtomInfo.h File Reference

Defines atom-level macro atom information. More...

#include <RDGeneral/export.h>
#include <memory>
#include <string>
#include <utility>

Go to the source code of this file.

Classes
class	RDKit::MacroAtomInfo
	Captures atom-level information for macro atoms. More...

Namespaces
namespace	RDKit
	Std stuff.

Enumerations
enum	RDKit::MonomerClass : int { RDKit::AminoAcid , RDKit::NucleicAcid , RDKit::Chemical , RDKit::Other }
	Format-neutral classes of monomer that a macro atom can represent. More...

Functions
RDKIT_GRAPHMOL_EXPORT const char *	RDKit::monomerClassToString (MonomerClass monomerClass)
	Converts a monomer class to its canonical format-neutral RDKit name.
RDKIT_GRAPHMOL_EXPORT MonomerClass	RDKit::monomerClassFromString (const std::string &monomerClass)
	Converts a canonical format-neutral RDKit name to its monomer class.

Detailed Description

Defines atom-level macro atom information.

Definition in file MacroAtomInfo.h.