CDPL::Chem::MolecularGraphProperty Namespace Reference

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

Variables
CDPL_CHEM_API const Base::LookupKey	NAME
CDPL_CHEM_API const Base::LookupKey	COMMENT
CDPL_CHEM_API const Base::LookupKey	TIMESTAMP
CDPL_CHEM_API const Base::LookupKey	COMPONENTS
CDPL_CHEM_API const Base::LookupKey	RINGS
CDPL_CHEM_API const Base::LookupKey	SSSR
CDPL_CHEM_API const Base::LookupKey	CYCLIC_SUBSTRUCTURE
CDPL_CHEM_API const Base::LookupKey	AROMATIC_SUBSTRUCTURE
CDPL_CHEM_API const Base::LookupKey	PI_ELECTRON_SYSTEMS
CDPL_CHEM_API const Base::LookupKey	MATCH_CONSTRAINTS
CDPL_CHEM_API const Base::LookupKey	MATCH_EXPRESSION
CDPL_CHEM_API const Base::LookupKey	COMPONENT_GROUPS
CDPL_CHEM_API const Base::LookupKey	TOPOLOGICAL_DISTANCE_MATRIX
CDPL_CHEM_API const Base::LookupKey	GEOMETRICAL_DISTANCE_MATRIX
CDPL_CHEM_API const Base::LookupKey	STOICHIOMETRIC_NUMBER
CDPL_CHEM_API const Base::LookupKey	CONFORMATION_INDEX
CDPL_CHEM_API const Base::LookupKey	CONFORMER_ENERGIES
CDPL_CHEM_API const Base::LookupKey	STRUCTURE_DATA
CDPL_CHEM_API const Base::LookupKey	HASH_CODE
CDPL_CHEM_API const Base::LookupKey	MDL_USER_INITIALS
CDPL_CHEM_API const Base::LookupKey	MDL_PROGRAM_NAME
CDPL_CHEM_API const Base::LookupKey	MDL_REGISTRY_NUMBER
CDPL_CHEM_API const Base::LookupKey	MDL_CTAB_VERSION
CDPL_CHEM_API const Base::LookupKey	MDL_DIMENSIONALITY
CDPL_CHEM_API const Base::LookupKey	MDL_SCALING_FACTOR1
CDPL_CHEM_API const Base::LookupKey	MDL_SCALING_FACTOR2
CDPL_CHEM_API const Base::LookupKey	MDL_ENERGY
CDPL_CHEM_API const Base::LookupKey	MDL_CHIRAL_FLAG
CDPL_CHEM_API const Base::LookupKey	MOL2_CHARGE_TYPE
CDPL_CHEM_API const Base::LookupKey	MOL2_MOLECULE_TYPE

Detailed Description

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

Variable Documentation

NAME

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::NAME

extern

COMMENT

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::COMMENT

extern

TIMESTAMP

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::TIMESTAMP

extern

COMPONENTS

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::COMPONENTS

extern

RINGS

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::RINGS

extern

SSSR

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::SSSR

extern

CYCLIC_SUBSTRUCTURE

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::CYCLIC_SUBSTRUCTURE

extern

AROMATIC_SUBSTRUCTURE

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::AROMATIC_SUBSTRUCTURE

extern

PI_ELECTRON_SYSTEMS

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::PI_ELECTRON_SYSTEMS

extern

MATCH_CONSTRAINTS

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MATCH_CONSTRAINTS

extern

MATCH_EXPRESSION

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MATCH_EXPRESSION

extern

COMPONENT_GROUPS

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::COMPONENT_GROUPS

extern

TOPOLOGICAL_DISTANCE_MATRIX

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::TOPOLOGICAL_DISTANCE_MATRIX

extern

GEOMETRICAL_DISTANCE_MATRIX

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::GEOMETRICAL_DISTANCE_MATRIX

extern

STOICHIOMETRIC_NUMBER

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::STOICHIOMETRIC_NUMBER

extern

CONFORMATION_INDEX

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::CONFORMATION_INDEX

extern

CONFORMER_ENERGIES

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::CONFORMER_ENERGIES

extern

STRUCTURE_DATA

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::STRUCTURE_DATA

extern

HASH_CODE

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::HASH_CODE

extern

MDL_USER_INITIALS

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MDL_USER_INITIALS

extern

MDL_PROGRAM_NAME

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MDL_PROGRAM_NAME

extern

MDL_REGISTRY_NUMBER

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MDL_REGISTRY_NUMBER

extern

MDL_CTAB_VERSION

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MDL_CTAB_VERSION

extern

MDL_DIMENSIONALITY

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MDL_DIMENSIONALITY

extern

MDL_SCALING_FACTOR1

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MDL_SCALING_FACTOR1

extern

MDL_SCALING_FACTOR2

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MDL_SCALING_FACTOR2

extern

MDL_ENERGY

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MDL_ENERGY

extern

MDL_CHIRAL_FLAG

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MDL_CHIRAL_FLAG

extern

MOL2_CHARGE_TYPE

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MOL2_CHARGE_TYPE

extern

MOL2_MOLECULE_TYPE

CDPL_CHEM_API const Base::LookupKey CDPL::Chem::MolecularGraphProperty::MOL2_MOLECULE_TYPE

extern