MMFF94ChargeCalculator.hpp File Reference

Definition of the class CDPL::ForceField::MMFF94ChargeCalculator. More...

#include <cstddef>
#include <memory>
#include "CDPL/ForceField/APIPrefix.hpp"
#include "CDPL/ForceField/MMFF94AtomTypePropertyTable.hpp"
#include "CDPL/ForceField/MMFF94BondChargeIncrementTable.hpp"
#include "CDPL/ForceField/MMFF94PartialBondChargeIncrementTable.hpp"
#include "CDPL/ForceField/MMFF94PropertyFunctions.hpp"
#include "CDPL/ForceField/MMFF94FormalAtomChargeDefinitionTable.hpp"
#include "CDPL/Util/Array.hpp"
#include "CDPL/Util/BitSet.hpp"

Go to the source code of this file.

Classes
class	CDPL::ForceField::MMFF94ChargeCalculator

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.
	CDPL::ForceField
	Contains classes and functions related to molecular force fields.

Detailed Description

Definition of the class CDPL::ForceField::MMFF94ChargeCalculator.