CDPL::ForceField::MMFF94InteractionData Class Reference

#include <MMFF94InteractionData.hpp>

Public Types
typedef std::shared_ptr< MMFF94InteractionData >	SharedPointer

Public Member Functions
const MMFF94BondStretchingInteractionList &	getBondStretchingInteractions () const
MMFF94BondStretchingInteractionList &	getBondStretchingInteractions ()
const MMFF94AngleBendingInteractionList &	getAngleBendingInteractions () const
MMFF94AngleBendingInteractionList &	getAngleBendingInteractions ()
const MMFF94StretchBendInteractionList &	getStretchBendInteractions () const
MMFF94StretchBendInteractionList &	getStretchBendInteractions ()
const MMFF94OutOfPlaneBendingInteractionList &	getOutOfPlaneBendingInteractions () const
MMFF94OutOfPlaneBendingInteractionList &	getOutOfPlaneBendingInteractions ()
const MMFF94TorsionInteractionList &	getTorsionInteractions () const
MMFF94TorsionInteractionList &	getTorsionInteractions ()
const MMFF94ElectrostaticInteractionList &	getElectrostaticInteractions () const
MMFF94ElectrostaticInteractionList &	getElectrostaticInteractions ()
const MMFF94VanDerWaalsInteractionList &	getVanDerWaalsInteractions () const
MMFF94VanDerWaalsInteractionList &	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 MMFF94BondStretchingInteractionList& CDPL::ForceField::MMFF94InteractionData::getBondStretchingInteractions

(

)

const

getBondStretchingInteractions() [2/2]

MMFF94BondStretchingInteractionList& CDPL::ForceField::MMFF94InteractionData::getBondStretchingInteractions

(

)

getAngleBendingInteractions() [1/2]

const MMFF94AngleBendingInteractionList& CDPL::ForceField::MMFF94InteractionData::getAngleBendingInteractions

(

)

const

getAngleBendingInteractions() [2/2]

MMFF94AngleBendingInteractionList& CDPL::ForceField::MMFF94InteractionData::getAngleBendingInteractions

(

)

getStretchBendInteractions() [1/2]

const MMFF94StretchBendInteractionList& CDPL::ForceField::MMFF94InteractionData::getStretchBendInteractions

(

)

const

getStretchBendInteractions() [2/2]

MMFF94StretchBendInteractionList& CDPL::ForceField::MMFF94InteractionData::getStretchBendInteractions

(

)

getOutOfPlaneBendingInteractions() [1/2]

const MMFF94OutOfPlaneBendingInteractionList& CDPL::ForceField::MMFF94InteractionData::getOutOfPlaneBendingInteractions

(

)

const

getOutOfPlaneBendingInteractions() [2/2]

MMFF94OutOfPlaneBendingInteractionList& CDPL::ForceField::MMFF94InteractionData::getOutOfPlaneBendingInteractions

(

)

getTorsionInteractions() [1/2]

const MMFF94TorsionInteractionList& CDPL::ForceField::MMFF94InteractionData::getTorsionInteractions

(

)

const

getTorsionInteractions() [2/2]

MMFF94TorsionInteractionList& CDPL::ForceField::MMFF94InteractionData::getTorsionInteractions

(

)

getElectrostaticInteractions() [1/2]

const MMFF94ElectrostaticInteractionList& CDPL::ForceField::MMFF94InteractionData::getElectrostaticInteractions

(

)

const

getElectrostaticInteractions() [2/2]

MMFF94ElectrostaticInteractionList& CDPL::ForceField::MMFF94InteractionData::getElectrostaticInteractions

(

)

getVanDerWaalsInteractions() [1/2]

const MMFF94VanDerWaalsInteractionList& CDPL::ForceField::MMFF94InteractionData::getVanDerWaalsInteractions

(

)

const

getVanDerWaalsInteractions() [2/2]

MMFF94VanDerWaalsInteractionList& 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