CDPL::ForceField::MMFF94InteractionData Class Reference

#include <MMFF94InteractionData.hpp>

Public Types
typedef std::shared_ptr< MMFF94InteractionData >	SharedPointer

Public Member Functions
const MMFF94BondStretchingInteractionData &	getBondStretchingInteractions () const
MMFF94BondStretchingInteractionData &	getBondStretchingInteractions ()
const MMFF94AngleBendingInteractionData &	getAngleBendingInteractions () const
MMFF94AngleBendingInteractionData &	getAngleBendingInteractions ()
const MMFF94StretchBendInteractionData &	getStretchBendInteractions () const
MMFF94StretchBendInteractionData &	getStretchBendInteractions ()
const MMFF94OutOfPlaneBendingInteractionData &	getOutOfPlaneBendingInteractions () const
MMFF94OutOfPlaneBendingInteractionData &	getOutOfPlaneBendingInteractions ()
const MMFF94TorsionInteractionData &	getTorsionInteractions () const
MMFF94TorsionInteractionData &	getTorsionInteractions ()
const MMFF94ElectrostaticInteractionData &	getElectrostaticInteractions () const
MMFF94ElectrostaticInteractionData &	getElectrostaticInteractions ()
const MMFF94VanDerWaalsInteractionData &	getVanDerWaalsInteractions () const
MMFF94VanDerWaalsInteractionData &	getVanDerWaalsInteractions ()
void	clear ()
void	swap (MMFF94InteractionData &ia_data)

Member Typedef Documentation

SharedPointer

typedef std::shared_ptr<MMFF94InteractionData> CDPL::ForceField::MMFF94InteractionData::SharedPointer

Member Function Documentation

getBondStretchingInteractions() [1/2]

const MMFF94BondStretchingInteractionData& CDPL::ForceField::MMFF94InteractionData::getBondStretchingInteractions

(

)

const

getBondStretchingInteractions() [2/2]

MMFF94BondStretchingInteractionData& CDPL::ForceField::MMFF94InteractionData::getBondStretchingInteractions

(

)

getAngleBendingInteractions() [1/2]

const MMFF94AngleBendingInteractionData& CDPL::ForceField::MMFF94InteractionData::getAngleBendingInteractions

(

)

const

getAngleBendingInteractions() [2/2]

MMFF94AngleBendingInteractionData& CDPL::ForceField::MMFF94InteractionData::getAngleBendingInteractions

(

)

getStretchBendInteractions() [1/2]

const MMFF94StretchBendInteractionData& CDPL::ForceField::MMFF94InteractionData::getStretchBendInteractions

(

)

const

getStretchBendInteractions() [2/2]

MMFF94StretchBendInteractionData& CDPL::ForceField::MMFF94InteractionData::getStretchBendInteractions

(

)

getOutOfPlaneBendingInteractions() [1/2]

const MMFF94OutOfPlaneBendingInteractionData& CDPL::ForceField::MMFF94InteractionData::getOutOfPlaneBendingInteractions

(

)

const

getOutOfPlaneBendingInteractions() [2/2]

MMFF94OutOfPlaneBendingInteractionData& CDPL::ForceField::MMFF94InteractionData::getOutOfPlaneBendingInteractions

(

)

getTorsionInteractions() [1/2]

const MMFF94TorsionInteractionData& CDPL::ForceField::MMFF94InteractionData::getTorsionInteractions

(

)

const

getTorsionInteractions() [2/2]

MMFF94TorsionInteractionData& CDPL::ForceField::MMFF94InteractionData::getTorsionInteractions

(

)

getElectrostaticInteractions() [1/2]

const MMFF94ElectrostaticInteractionData& CDPL::ForceField::MMFF94InteractionData::getElectrostaticInteractions

(

)

const

getElectrostaticInteractions() [2/2]

MMFF94ElectrostaticInteractionData& CDPL::ForceField::MMFF94InteractionData::getElectrostaticInteractions

(

)

getVanDerWaalsInteractions() [1/2]

const MMFF94VanDerWaalsInteractionData& CDPL::ForceField::MMFF94InteractionData::getVanDerWaalsInteractions

(

)

const

getVanDerWaalsInteractions() [2/2]

MMFF94VanDerWaalsInteractionData& CDPL::ForceField::MMFF94InteractionData::getVanDerWaalsInteractions

(

)

clear()

void CDPL::ForceField::MMFF94InteractionData::clear

(

)

swap()

void CDPL::ForceField::MMFF94InteractionData::swap

(

MMFF94InteractionData &

ia_data

)

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The documentation for this class was generated from the following file:

• MMFF94InteractionData.hpp