Chemical Data Processing Library C++ API - Version 1.2.0
Variables
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