CDPL::Chem::MolecularGraphPropertyDefault Namespace Reference

Provides default values for built-in Chem::MolecularGraph properties. More...

Variables
CDPL_CHEM_API const std::string	NAME
	Default value for the Chem::MolecularGraphProperty::NAME property. More...
CDPL_CHEM_API const std::string	COMMENT
	Default value for the Chem::MolecularGraphProperty::COMMENT property. More...
CDPL_CHEM_API const double	STOICHIOMETRIC_NUMBER
	Default value for the Chem::MolecularGraphProperty::STOICHIOMETRIC_NUMBER property. More...
CDPL_CHEM_API const MatchConstraintList::SharedPointer	MATCH_CONSTRAINTS
	Default value for the Chem::MolecularGraphProperty::MATCH_CONSTRAINTS property. More...
CDPL_CHEM_API const unsigned int	MDL_CTAB_VERSION
	Default value for the Chem::MolecularGraphProperty::MDL_CTAB_VERSION property. More...
CDPL_CHEM_API const std::string	MDL_PROGRAM_NAME
	Default value for the Chem::MolecularGraphProperty::MDL_PROGRAM_NAME property. More...
CDPL_CHEM_API const std::string	MDL_USER_INITIALS
	Default value for the Chem::MolecularGraphProperty::MDL_USER_INITIALS property. More...
CDPL_CHEM_API const std::size_t	MDL_DIMENSIONALITY
	Default value for the Chem::MolecularGraphProperty::MDL_DIMENSIONALITY property. More...
CDPL_CHEM_API const double	MDL_ENERGY
	Default value for the Chem::MolecularGraphProperty::MDL_ENERGY property. More...
CDPL_CHEM_API const bool	MDL_CHIRAL_FLAG
	Default value for the Chem::MolecularGraphProperty::MDL_CHIRAL_FLAG property. More...
CDPL_CHEM_API const long	MDL_SCALING_FACTOR1
	Default value for the Chem::MolecularGraphProperty::MDL_SCALING_FACTOR1 property. More...
CDPL_CHEM_API const double	MDL_SCALING_FACTOR2
	Default value for the Chem::MolecularGraphProperty::MDL_SCALING_FACTOR2 property. More...
CDPL_CHEM_API const unsigned int	MOL2_MOLECULE_TYPE
	Default value for the Chem::MolecularGraphProperty::MOL2_MOLECULE_TYPE property. More...
CDPL_CHEM_API const unsigned int	MOL2_CHARGE_TYPE
	Default value for the Chem::MolecularGraphProperty::MOL2_CHARGE_TYPE property. More...

Detailed Description

Provides default values for built-in Chem::MolecularGraph properties.

Variable Documentation

NAME

CDPL_CHEM_API const std::string CDPL::Chem::MolecularGraphPropertyDefault::NAME

extern

Default value for the Chem::MolecularGraphProperty::NAME property.

COMMENT

CDPL_CHEM_API const std::string CDPL::Chem::MolecularGraphPropertyDefault::COMMENT

extern

Default value for the Chem::MolecularGraphProperty::COMMENT property.

STOICHIOMETRIC_NUMBER

CDPL_CHEM_API const double CDPL::Chem::MolecularGraphPropertyDefault::STOICHIOMETRIC_NUMBER

extern

Default value for the Chem::MolecularGraphProperty::STOICHIOMETRIC_NUMBER property.

MATCH_CONSTRAINTS

CDPL_CHEM_API const MatchConstraintList::SharedPointer CDPL::Chem::MolecularGraphPropertyDefault::MATCH_CONSTRAINTS

extern

Default value for the Chem::MolecularGraphProperty::MATCH_CONSTRAINTS property.

MDL_CTAB_VERSION

CDPL_CHEM_API const unsigned int CDPL::Chem::MolecularGraphPropertyDefault::MDL_CTAB_VERSION

extern

Default value for the Chem::MolecularGraphProperty::MDL_CTAB_VERSION property.

MDL_PROGRAM_NAME

CDPL_CHEM_API const std::string CDPL::Chem::MolecularGraphPropertyDefault::MDL_PROGRAM_NAME

extern

Default value for the Chem::MolecularGraphProperty::MDL_PROGRAM_NAME property.

MDL_USER_INITIALS

CDPL_CHEM_API const std::string CDPL::Chem::MolecularGraphPropertyDefault::MDL_USER_INITIALS

extern

Default value for the Chem::MolecularGraphProperty::MDL_USER_INITIALS property.

MDL_DIMENSIONALITY

CDPL_CHEM_API const std::size_t CDPL::Chem::MolecularGraphPropertyDefault::MDL_DIMENSIONALITY

extern

Default value for the Chem::MolecularGraphProperty::MDL_DIMENSIONALITY property.

MDL_ENERGY

CDPL_CHEM_API const double CDPL::Chem::MolecularGraphPropertyDefault::MDL_ENERGY

extern

Default value for the Chem::MolecularGraphProperty::MDL_ENERGY property.

MDL_CHIRAL_FLAG

CDPL_CHEM_API const bool CDPL::Chem::MolecularGraphPropertyDefault::MDL_CHIRAL_FLAG

extern

Default value for the Chem::MolecularGraphProperty::MDL_CHIRAL_FLAG property.

MDL_SCALING_FACTOR1

CDPL_CHEM_API const long CDPL::Chem::MolecularGraphPropertyDefault::MDL_SCALING_FACTOR1

extern

Default value for the Chem::MolecularGraphProperty::MDL_SCALING_FACTOR1 property.

MDL_SCALING_FACTOR2

CDPL_CHEM_API const double CDPL::Chem::MolecularGraphPropertyDefault::MDL_SCALING_FACTOR2

extern

Default value for the Chem::MolecularGraphProperty::MDL_SCALING_FACTOR2 property.

MOL2_MOLECULE_TYPE

CDPL_CHEM_API const unsigned int CDPL::Chem::MolecularGraphPropertyDefault::MOL2_MOLECULE_TYPE

extern

Default value for the Chem::MolecularGraphProperty::MOL2_MOLECULE_TYPE property.

MOL2_CHARGE_TYPE

CDPL_CHEM_API const unsigned int CDPL::Chem::MolecularGraphPropertyDefault::MOL2_CHARGE_TYPE

extern

Default value for the Chem::MolecularGraphProperty::MOL2_CHARGE_TYPE property.