CDPL.Chem.MolecularGraphProperty Class Reference

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

Inheritance diagram for CDPL.Chem.MolecularGraphProperty:

Static Public Attributes
	NAME = CDPL.Base.LookupKey(id=50, name='NAME')
	COMPONENTS = CDPL.Base.LookupKey(id=51, name='COMPONENTS')
	RINGS = CDPL.Base.LookupKey(id=52, name='RINGS')
	SSSR = CDPL.Base.LookupKey(id=53, name='SSSR')
	CYCLIC_SUBSTRUCTURE = CDPL.Base.LookupKey(id=54, name='CYCLIC_SUBSTRUCTURE')
	AROMATIC_SUBSTRUCTURE = CDPL.Base.LookupKey(id=55, name='AROMATIC_SUBSTRUCTURE')
	PI_ELECTRON_SYSTEMS = CDPL.Base.LookupKey(id=56, name='PI_ELECTRON_SYSTEMS')
	MATCH_CONSTRAINTS = CDPL.Base.LookupKey(id=57, name='MATCH_CONSTRAINTS')
	MATCH_EXPRESSION = CDPL.Base.LookupKey(id=58, name='MATCH_EXPRESSION')
	COMPONENT_GROUPS = CDPL.Base.LookupKey(id=59, name='COMPONENT_GROUPS')
	TOPOLOGICAL_DISTANCE_MATRIX = CDPL.Base.LookupKey(id=60, name='TOPOLOGICAL_DISTANCE_MATRIX')
	GEOMETRICAL_DISTANCE_MATRIX = CDPL.Base.LookupKey(id=61, name='GEOMETRICAL_DISTANCE_MATRIX')
	STOICHIOMETRIC_NUMBER = CDPL.Base.LookupKey(id=62, name='STOICHIOMETRIC_NUMBER')
	CONFORMATION_INDEX = CDPL.Base.LookupKey(id=63, name='CONFORMATION_INDEX')
	CONFORMER_ENERGIES = CDPL.Base.LookupKey(id=64, name='CONFORMER_ENERGIES')
	STRUCTURE_DATA = CDPL.Base.LookupKey(id=65, name='STRUCTURE_DATA')
	HASH_CODE = CDPL.Base.LookupKey(id=66, name='HASH_CODE')
	MDL_USER_INITIALS = CDPL.Base.LookupKey(id=67, name='MDL_USER_INITIALS')
	MDL_PROGRAM_NAME = CDPL.Base.LookupKey(id=68, name='MDL_PROGRAM_NAME')
	MDL_TIMESTAMP = CDPL.Base.LookupKey(id=69, name='MDL_TIMESTAMP')
	MDL_REGISTRY_NUMBER = CDPL.Base.LookupKey(id=74, name='MDL_REGISTRY_NUMBER')
	MDL_COMMENT = CDPL.Base.LookupKey(id=75, name='MDL_COMMENT')
	MDL_CTAB_VERSION = CDPL.Base.LookupKey(id=77, name='MDL_CTAB_VERSION')
	MDL_DIMENSIONALITY = CDPL.Base.LookupKey(id=70, name='MDL_DIMENSIONALITY')
	MDL_SCALING_FACTOR1 = CDPL.Base.LookupKey(id=71, name='MDL_SCALING_FACTOR1')
	MDL_SCALING_FACTOR2 = CDPL.Base.LookupKey(id=72, name='MDL_SCALING_FACTOR2')
	MDL_ENERGY = CDPL.Base.LookupKey(id=73, name='MDL_ENERGY')
	MDL_CHIRAL_FLAG = CDPL.Base.LookupKey(id=76, name='MDL_CHIRAL_FLAG')
	MOL2_CHARGE_TYPE = CDPL.Base.LookupKey(id=78, name='MOL2_CHARGE_TYPE')
	MOL2_MOLECULE_TYPE = CDPL.Base.LookupKey(id=79, name='MOL2_MOLECULE_TYPE')

Detailed Description

Provides keys for built-in Chem.MolecularGraph properties.