Chemical Data Processing Library C++ API - Version 1.1.1
Variables
CDPL::ForceField::MMFF94ParameterSet Namespace Reference

Provides flags for the specification of the MMFF94 parameter set to use. More...

Variables

const unsigned int DYNAMIC = 0
 
const unsigned int STATIC = 1
 
const unsigned int STATIC_XOOP = 2
 
const unsigned int STATIC_RTOR = 3
 
const unsigned int STATIC_RTOR_XOOP = 4
 

Detailed Description

Provides flags for the specification of the MMFF94 parameter set to use.

Variable Documentation

◆ DYNAMIC

const unsigned int CDPL::ForceField::MMFF94ParameterSet::DYNAMIC = 0

◆ STATIC

const unsigned int CDPL::ForceField::MMFF94ParameterSet::STATIC = 1

◆ STATIC_XOOP

const unsigned int CDPL::ForceField::MMFF94ParameterSet::STATIC_XOOP = 2

◆ STATIC_RTOR

const unsigned int CDPL::ForceField::MMFF94ParameterSet::STATIC_RTOR = 3

◆ STATIC_RTOR_XOOP

const unsigned int CDPL::ForceField::MMFF94ParameterSet::STATIC_RTOR_XOOP = 4