ForceField.hpp File Reference

A convenience header including everything that is defined in namespace CDPL::ForceField. More...

#include "CDPL/ForceField/Exceptions.hpp"
#include "CDPL/ForceField/AtomProperty.hpp"
#include "CDPL/ForceField/BondProperty.hpp"
#include "CDPL/ForceField/MolecularGraphProperty.hpp"
#include "CDPL/ForceField/AtomFunctions.hpp"
#include "CDPL/ForceField/BondFunctions.hpp"
#include "CDPL/ForceField/MolecularGraphFunctions.hpp"
#include "CDPL/ForceField/UtilityFunctions.hpp"
#include "CDPL/ForceField/InteractionFilterFunctions.hpp"
#include "CDPL/ForceField/TopologicalAtomDistanceFunction.hpp"
#include "CDPL/ForceField/InteractionType.hpp"
#include "CDPL/ForceField/GradientVectorTraits.hpp"
#include "CDPL/ForceField/UFFAtomType.hpp"
#include "CDPL/ForceField/UFFAtomTypePropertyTable.hpp"
#include "CDPL/ForceField/MMFF94ParameterSet.hpp"
#include "CDPL/ForceField/MMFF94PropertyFunctions.hpp"
#include "CDPL/ForceField/MMFF94AromaticSSSRSubset.hpp"
#include "CDPL/ForceField/MMFF94AtomTyper.hpp"
#include "CDPL/ForceField/MMFF94BondTyper.hpp"
#include "CDPL/ForceField/MMFF94ChargeCalculator.hpp"
#include "CDPL/ForceField/MMFF94EnergyFunctions.hpp"
#include "CDPL/ForceField/MMFF94GradientFunctions.hpp"
#include "CDPL/ForceField/MMFF94EnergyCalculator.hpp"
#include "CDPL/ForceField/MMFF94GradientCalculator.hpp"
#include "CDPL/ForceField/MMFF94BondStretchingInteraction.hpp"
#include "CDPL/ForceField/MMFF94AngleBendingInteraction.hpp"
#include "CDPL/ForceField/MMFF94StretchBendInteraction.hpp"
#include "CDPL/ForceField/MMFF94OutOfPlaneBendingInteraction.hpp"
#include "CDPL/ForceField/MMFF94TorsionInteraction.hpp"
#include "CDPL/ForceField/MMFF94VanDerWaalsInteraction.hpp"
#include "CDPL/ForceField/MMFF94ElectrostaticInteraction.hpp"
#include "CDPL/ForceField/MMFF94BondStretchingInteractionList.hpp"
#include "CDPL/ForceField/MMFF94AngleBendingInteractionList.hpp"
#include "CDPL/ForceField/MMFF94StretchBendInteractionList.hpp"
#include "CDPL/ForceField/MMFF94OutOfPlaneBendingInteractionList.hpp"
#include "CDPL/ForceField/MMFF94TorsionInteractionList.hpp"
#include "CDPL/ForceField/MMFF94VanDerWaalsInteractionList.hpp"
#include "CDPL/ForceField/MMFF94ElectrostaticInteractionList.hpp"
#include "CDPL/ForceField/MMFF94InteractionData.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/MMFF94InteractionParameterizer.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/ElasticPotential.hpp"
#include "CDPL/ForceField/ElasticPotentialList.hpp"
#include "CDPL/ForceField/ElasticPotentialFunctions.hpp"

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Detailed Description

A convenience header including everything that is defined in namespace CDPL::ForceField.