CDPL::Chem::AtomPropertyDefault Namespace Reference

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

Variables
CDPL_CHEM_API const std::string	SYMBOL
CDPL_CHEM_API const std::string	NAME
CDPL_CHEM_API const long	FORMAL_CHARGE
CDPL_CHEM_API const std::size_t	ISOTOPE
CDPL_CHEM_API const std::size_t	UNPAIRED_ELECTRON_COUNT
CDPL_CHEM_API const unsigned int	TYPE
CDPL_CHEM_API const unsigned int	RADICAL_TYPE
CDPL_CHEM_API const unsigned int	SYBYL_TYPE
CDPL_CHEM_API const unsigned int	REACTION_CENTER_STATUS
CDPL_CHEM_API const StereoDescriptor	STEREO_DESCRIPTOR
CDPL_CHEM_API const std::size_t	COMPONENT_GROUP_ID
CDPL_CHEM_API const std::size_t	ATOM_MAPPING_ID
CDPL_CHEM_API const MatchConstraintList::SharedPointer	MATCH_CONSTRAINTS
CDPL_CHEM_API const double	MOL2_CHARGE
CDPL_CHEM_API const std::string	MOL2_NAME
CDPL_CHEM_API const bool	MDL_DB_STEREO_CARE_FLAG

Detailed Description

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

Variable Documentation

SYMBOL

CDPL_CHEM_API const std::string CDPL::Chem::AtomPropertyDefault::SYMBOL

extern

NAME

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

extern

FORMAL_CHARGE

CDPL_CHEM_API const long CDPL::Chem::AtomPropertyDefault::FORMAL_CHARGE

extern

ISOTOPE

CDPL_CHEM_API const std::size_t CDPL::Chem::AtomPropertyDefault::ISOTOPE

extern

UNPAIRED_ELECTRON_COUNT

CDPL_CHEM_API const std::size_t CDPL::Chem::AtomPropertyDefault::UNPAIRED_ELECTRON_COUNT

extern

TYPE

CDPL_CHEM_API const unsigned int CDPL::Chem::AtomPropertyDefault::TYPE

extern

RADICAL_TYPE

CDPL_CHEM_API const unsigned int CDPL::Chem::AtomPropertyDefault::RADICAL_TYPE

extern

SYBYL_TYPE

CDPL_CHEM_API const unsigned int CDPL::Chem::AtomPropertyDefault::SYBYL_TYPE

extern

REACTION_CENTER_STATUS

CDPL_CHEM_API const unsigned int CDPL::Chem::AtomPropertyDefault::REACTION_CENTER_STATUS

extern

STEREO_DESCRIPTOR

CDPL_CHEM_API const StereoDescriptor CDPL::Chem::AtomPropertyDefault::STEREO_DESCRIPTOR

extern

COMPONENT_GROUP_ID

CDPL_CHEM_API const std::size_t CDPL::Chem::AtomPropertyDefault::COMPONENT_GROUP_ID

extern

ATOM_MAPPING_ID

CDPL_CHEM_API const std::size_t CDPL::Chem::AtomPropertyDefault::ATOM_MAPPING_ID

extern

MATCH_CONSTRAINTS

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

extern

MOL2_CHARGE

CDPL_CHEM_API const double CDPL::Chem::AtomPropertyDefault::MOL2_CHARGE

extern

MOL2_NAME

CDPL_CHEM_API const std::string CDPL::Chem::AtomPropertyDefault::MOL2_NAME

extern

MDL_DB_STEREO_CARE_FLAG

CDPL_CHEM_API const bool CDPL::Chem::AtomPropertyDefault::MDL_DB_STEREO_CARE_FLAG

extern