CDPL::Chem::MolecularGraphPropertyDefault Namespace Reference

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

Variables
CDPL_CHEM_API const std::string	NAME
CDPL_CHEM_API const std::string	COMMENT
CDPL_CHEM_API const double	STOICHIOMETRIC_NUMBER
CDPL_CHEM_API const MatchConstraintList::SharedPointer	MATCH_CONSTRAINTS
CDPL_CHEM_API const unsigned int	MDL_CTAB_VERSION
CDPL_CHEM_API const std::string	MDL_PROGRAM_NAME
CDPL_CHEM_API const std::string	MDL_USER_INITIALS
CDPL_CHEM_API const std::size_t	MDL_DIMENSIONALITY
CDPL_CHEM_API const double	MDL_ENERGY
CDPL_CHEM_API const bool	MDL_CHIRAL_FLAG
CDPL_CHEM_API const long	MDL_SCALING_FACTOR1
CDPL_CHEM_API const double	MDL_SCALING_FACTOR2
CDPL_CHEM_API const unsigned int	MOL2_MOLECULE_TYPE
CDPL_CHEM_API const unsigned int	MOL2_CHARGE_TYPE

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

COMMENT

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

extern

STOICHIOMETRIC_NUMBER

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

extern

MATCH_CONSTRAINTS

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

extern

MDL_CTAB_VERSION

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

extern

MDL_PROGRAM_NAME

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

extern

MDL_USER_INITIALS

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

extern

MDL_DIMENSIONALITY

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

extern

MDL_ENERGY

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

extern

MDL_CHIRAL_FLAG

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

extern

MDL_SCALING_FACTOR1

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

extern

MDL_SCALING_FACTOR2

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

extern

MOL2_MOLECULE_TYPE

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

extern

MOL2_CHARGE_TYPE

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

extern