MOL2ChargeType.hpp File Reference

Definition of constants in namespace CDPL::Chem::MOL2ChargeType. More...

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Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.
	CDPL::Chem::MOL2ChargeType
	Provides constants for the specification of the atom charge type in Tripos MOL2 files.

Variables
const unsigned int	CDPL::Chem::MOL2ChargeType::UNKNOWN = 0
const unsigned int	CDPL::Chem::MOL2ChargeType::NO_CHARGES = 1
const unsigned int	CDPL::Chem::MOL2ChargeType::DEL_RE = 2
const unsigned int	CDPL::Chem::MOL2ChargeType::GASTEIGER = 3
const unsigned int	CDPL::Chem::MOL2ChargeType::GAST_HUCK = 4
const unsigned int	CDPL::Chem::MOL2ChargeType::HUCKEL = 5
const unsigned int	CDPL::Chem::MOL2ChargeType::PULLMAN = 6
const unsigned int	CDPL::Chem::MOL2ChargeType::GAUSS80 = 7
const unsigned int	CDPL::Chem::MOL2ChargeType::AMPAC = 8
const unsigned int	CDPL::Chem::MOL2ChargeType::MULLIKEN = 9
const unsigned int	CDPL::Chem::MOL2ChargeType::DICT = 10
const unsigned int	CDPL::Chem::MOL2ChargeType::MMFF94 = 11
const unsigned int	CDPL::Chem::MOL2ChargeType::USER = 12

Detailed Description

Definition of constants in namespace CDPL::Chem::MOL2ChargeType.