Chemical Data Processing Library C++ API - Version 1.1.1
Variables
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