CDPL::Biomol::MolecularGraphProperty Namespace Reference

Provides keys for built-in Chem::MolecularGraph properties. More...

Variables
CDPL_BIOMOL_API const Base::LookupKey	RESIDUE_CODE
	Specifies the residue code (three-letter code) of the residue described by the molecular graph. More...
CDPL_BIOMOL_API const Base::LookupKey	RESIDUE_SEQUENCE_NUMBER
	Specifies the residue sequence number of the residue described by the molecular graph. More...
CDPL_BIOMOL_API const Base::LookupKey	RESIDUE_INSERTION_CODE
	Specifies the residue insertion code of the residue described by the molecular graph. More...
CDPL_BIOMOL_API const Base::LookupKey	CHAIN_ID
	Specifies the identifier of the chain the molecular graph belongs to. More...
CDPL_BIOMOL_API const Base::LookupKey	MODEL_NUMBER
	Specifies the model number assigned to the molecular graph. More...
CDPL_BIOMOL_API const Base::LookupKey	PDB_DATA
	Specifies the associated PDB data record. More...
CDPL_BIOMOL_API const Base::LookupKey	MMCIF_DATA
	Specifies the associated mmCIF data record. More...

Detailed Description

Provides keys for built-in Chem::MolecularGraph properties.

Variable Documentation

RESIDUE_CODE

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::MolecularGraphProperty::RESIDUE_CODE

extern

Specifies the residue code (three-letter code) of the residue described by the molecular graph.

Value Type: std::string

RESIDUE_SEQUENCE_NUMBER

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::MolecularGraphProperty::RESIDUE_SEQUENCE_NUMBER

extern

Specifies the residue sequence number of the residue described by the molecular graph.

Value Type: long

RESIDUE_INSERTION_CODE

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::MolecularGraphProperty::RESIDUE_INSERTION_CODE

extern

Specifies the residue insertion code of the residue described by the molecular graph.

Value Type: char

CHAIN_ID

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::MolecularGraphProperty::CHAIN_ID

extern

Specifies the identifier of the chain the molecular graph belongs to.

Value Type: std::string

MODEL_NUMBER

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::MolecularGraphProperty::MODEL_NUMBER

extern

Specifies the model number assigned to the molecular graph.

Value Type: std::size_t

PDB_DATA

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::MolecularGraphProperty::PDB_DATA

extern

Specifies the associated PDB data record.

Value Type: Biomol::PDBData::SharedPointer

MMCIF_DATA

CDPL_BIOMOL_API const Base::LookupKey CDPL::Biomol::MolecularGraphProperty::MMCIF_DATA

extern

Specifies the associated mmCIF data record.

Value Type: Biomol::MMCIFData::SharedPointer

Since

1.2