CDPL::Chem::AtomPropertyDefault Namespace Reference

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

Variables
CDPL_CHEM_API const std::string	SYMBOL
	Default value for the Chem::AtomProperty::SYMBOL property. More...
CDPL_CHEM_API const std::string	NAME
	Default value for the Chem::AtomProperty::NAME property. More...
CDPL_CHEM_API const long	FORMAL_CHARGE
	Default value for the Chem::AtomProperty::FORMAL_CHARGE property. More...
CDPL_CHEM_API const std::size_t	ISOTOPE
	Default value for the Chem::AtomProperty::ISOTOPE property. More...
CDPL_CHEM_API const std::size_t	UNPAIRED_ELECTRON_COUNT
	Default value for the Chem::AtomProperty::UNPAIRED_ELECTRON_COUNT property. More...
CDPL_CHEM_API const unsigned int	TYPE
	Default value for the Chem::AtomProperty::TYPE property. More...
CDPL_CHEM_API const unsigned int	RADICAL_TYPE
	Default value for the Chem::AtomProperty::RADICAL_TYPE property. More...
CDPL_CHEM_API const unsigned int	SYBYL_TYPE
	Default value for the Chem::AtomProperty::SYBYL_TYPE property. More...
CDPL_CHEM_API const unsigned int	REACTION_CENTER_STATUS
	Default value for the Chem::AtomProperty::REACTION_CENTER_STATUS property. More...
CDPL_CHEM_API const StereoDescriptor	STEREO_DESCRIPTOR
	Default value for the Chem::AtomProperty::STEREO_DESCRIPTOR property. More...
CDPL_CHEM_API const std::size_t	COMPONENT_GROUP_ID
	Default value for the Chem::AtomProperty::COMPONENT_GROUP_ID property. More...
CDPL_CHEM_API const std::size_t	ATOM_MAPPING_ID
	Default value for the Chem::AtomProperty::ATOM_MAPPING_ID property. More...
CDPL_CHEM_API const MatchConstraintList::SharedPointer	MATCH_CONSTRAINTS
	Default value for the Chem::AtomProperty::MATCH_CONSTRAINTS property. More...
CDPL_CHEM_API const double	MOL2_CHARGE
	Default value for the Chem::AtomProperty::MOL2_CHARGE property. More...
CDPL_CHEM_API const std::string	MOL2_NAME
	Default value for the Chem::AtomProperty::MOL2_NAME property. More...
CDPL_CHEM_API const bool	MDL_DB_STEREO_CARE_FLAG
	Default value for the Chem::AtomProperty::MDL_DB_STEREO_CARE_FLAG property. More...

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

Default value for the Chem::AtomProperty::SYMBOL property.

NAME

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

extern

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

FORMAL_CHARGE

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

extern

Default value for the Chem::AtomProperty::FORMAL_CHARGE property.

ISOTOPE

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

extern

Default value for the Chem::AtomProperty::ISOTOPE property.

UNPAIRED_ELECTRON_COUNT

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

extern

Default value for the Chem::AtomProperty::UNPAIRED_ELECTRON_COUNT property.

TYPE

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

extern

Default value for the Chem::AtomProperty::TYPE property.

RADICAL_TYPE

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

extern

Default value for the Chem::AtomProperty::RADICAL_TYPE property.

SYBYL_TYPE

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

extern

Default value for the Chem::AtomProperty::SYBYL_TYPE property.

REACTION_CENTER_STATUS

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

extern

Default value for the Chem::AtomProperty::REACTION_CENTER_STATUS property.

STEREO_DESCRIPTOR

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

extern

Default value for the Chem::AtomProperty::STEREO_DESCRIPTOR property.

COMPONENT_GROUP_ID

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

extern

Default value for the Chem::AtomProperty::COMPONENT_GROUP_ID property.

ATOM_MAPPING_ID

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

extern

Default value for the Chem::AtomProperty::ATOM_MAPPING_ID property.

MATCH_CONSTRAINTS

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

extern

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

MOL2_CHARGE

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

extern

Default value for the Chem::AtomProperty::MOL2_CHARGE property.

MOL2_NAME

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

extern

Default value for the Chem::AtomProperty::MOL2_NAME property.

MDL_DB_STEREO_CARE_FLAG

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

extern

Default value for the Chem::AtomProperty::MDL_DB_STEREO_CARE_FLAG property.