Chemical Data Processing Library C++ API - Version 1.1.1
Variables
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