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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_FORCEFIELD_MMFF94INTERACTIONDATA_HPP
30 #define CDPL_FORCEFIELD_MMFF94INTERACTIONDATA_HPP
100 #endif // CDPL_FORCEFIELD_MMFF94INTERACTIONDATA_HPP
Definition of the preprocessor macro CDPL_FORCEFIELD_API.
const MMFF94TorsionInteractionList & getTorsionInteractions() const
MMFF94StretchBendInteractionList & getStretchBendInteractions()
Definition of the class CDPL::ForceField::MMFF94BondStretchingInteractionList.
Definition: MMFF94InteractionData.hpp:51
MMFF94TorsionInteractionList & getTorsionInteractions()
std::shared_ptr< MMFF94InteractionData > SharedPointer
Definition: MMFF94InteractionData.hpp:54
const MMFF94VanDerWaalsInteractionList & getVanDerWaalsInteractions() const
MMFF94ElectrostaticInteractionList & getElectrostaticInteractions()
Definition of the class CDPL::ForceField::MMFF94TorsionInteractionList.
MMFF94BondStretchingInteractionList & getBondStretchingInteractions()
const MMFF94ElectrostaticInteractionList & getElectrostaticInteractions() const
const MMFF94BondStretchingInteractionList & getBondStretchingInteractions() const
MMFF94AngleBendingInteractionList & getAngleBendingInteractions()
Definition of the class CDPL::ForceField::MMFF94StretchBendInteractionList.
Definition of the class CDPL::ForceField::MMFF94OutOfPlaneBendingInteractionList.
const MMFF94OutOfPlaneBendingInteractionList & getOutOfPlaneBendingInteractions() const
Definition of the class CDPL::ForceField::MMFF94VanDerWaalsInteractionList.
const MMFF94AngleBendingInteractionList & getAngleBendingInteractions() const
void swap(MMFF94InteractionData &ia_data)
The namespace of the Chemical Data Processing Library.
MMFF94VanDerWaalsInteractionList & getVanDerWaalsInteractions()
#define CDPL_FORCEFIELD_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
const MMFF94StretchBendInteractionList & getStretchBendInteractions() const
MMFF94OutOfPlaneBendingInteractionList & getOutOfPlaneBendingInteractions()
Definition of the class CDPL::ForceField::MMFF94AngleBendingInteractionList.
Definition of the class CDPL::ForceField::MMFF94ElectrostaticInteractionList.