MMFF94InteractionParameterizer.hpp File Reference

Definition of the class CDPL::ForceField::MMFF94InteractionParameterizer. More...

#include <string>
#include <cstddef>
#include <memory>
#include "CDPL/ForceField/APIPrefix.hpp"
#include "CDPL/ForceField/InteractionType.hpp"
#include "CDPL/ForceField/InteractionFilterFunctions.hpp"
#include "CDPL/ForceField/MMFF94ParameterSet.hpp"
#include "CDPL/ForceField/MMFF94BondStretchingInteractionParameterizer.hpp"
#include "CDPL/ForceField/MMFF94AngleBendingInteractionParameterizer.hpp"
#include "CDPL/ForceField/MMFF94StretchBendInteractionParameterizer.hpp"
#include "CDPL/ForceField/MMFF94OutOfPlaneBendingInteractionParameterizer.hpp"
#include "CDPL/ForceField/MMFF94TorsionInteractionParameterizer.hpp"
#include "CDPL/ForceField/MMFF94VanDerWaalsInteractionParameterizer.hpp"
#include "CDPL/ForceField/MMFF94ElectrostaticInteractionParameterizer.hpp"
#include "CDPL/ForceField/MMFF94SymbolicAtomTypePatternTable.hpp"
#include "CDPL/ForceField/MMFF94HeavyToHydrogenAtomTypeMap.hpp"
#include "CDPL/ForceField/MMFF94SymbolicToNumericAtomTypeMap.hpp"
#include "CDPL/ForceField/MMFF94AromaticAtomTypeDefinitionTable.hpp"
#include "CDPL/ForceField/MMFF94AtomTypePropertyTable.hpp"
#include "CDPL/ForceField/MMFF94FormalAtomChargeDefinitionTable.hpp"
#include "CDPL/ForceField/MMFF94BondChargeIncrementTable.hpp"
#include "CDPL/ForceField/MMFF94PartialBondChargeIncrementTable.hpp"
#include "CDPL/ForceField/MMFF94PrimaryToParameterAtomTypeMap.hpp"
#include "CDPL/ForceField/MMFF94AngleBendingParameterTable.hpp"
#include "CDPL/ForceField/MMFF94BondStretchingParameterTable.hpp"
#include "CDPL/ForceField/MMFF94BondStretchingRuleParameterTable.hpp"
#include "CDPL/ForceField/MMFF94StretchBendParameterTable.hpp"
#include "CDPL/ForceField/MMFF94DefaultStretchBendParameterTable.hpp"
#include "CDPL/ForceField/MMFF94OutOfPlaneBendingParameterTable.hpp"
#include "CDPL/ForceField/MMFF94TorsionParameterTable.hpp"
#include "CDPL/ForceField/MMFF94VanDerWaalsParameterTable.hpp"
#include "CDPL/ForceField/MMFF94AromaticSSSRSubset.hpp"
#include "CDPL/ForceField/MMFF94AtomTyper.hpp"
#include "CDPL/ForceField/MMFF94BondTyper.hpp"
#include "CDPL/ForceField/MMFF94ChargeCalculator.hpp"
#include "CDPL/Util/Array.hpp"
#include "CDPL/Math/Matrix.hpp"

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Classes
class	CDPL::ForceField::MMFF94InteractionParameterizer

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::MMFF94InteractionParameterizer.