Chemical Data Processing Library C++ API - Version 1.1.1
Namespaces | Variables
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.