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Chemical Data Processing Library C++ API - Version 1.0.0
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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.
Definition of the class CDPL::ForceField::MMFF94TorsionInteractionData.
Definition of the class CDPL::ForceField::MMFF94VanDerWaalsInteractionData.
Definition: MMFF94InteractionData.hpp:51
Definition of the class CDPL::ForceField::MMFF94AngleBendingInteractionData.
std::shared_ptr< MMFF94InteractionData > SharedPointer
Definition: MMFF94InteractionData.hpp:54
MMFF94BondStretchingInteractionData & getBondStretchingInteractions()
const MMFF94StretchBendInteractionData & getStretchBendInteractions() const
const MMFF94ElectrostaticInteractionData & getElectrostaticInteractions() const
Definition of the class CDPL::ForceField::MMFF94OutOfPlaneBendingInteractionData.
MMFF94VanDerWaalsInteractionData & getVanDerWaalsInteractions()
Definition of the class CDPL::ForceField::MMFF94BondStretchingInteractionData.
MMFF94ElectrostaticInteractionData & getElectrostaticInteractions()
MMFF94StretchBendInteractionData & getStretchBendInteractions()
void swap(MMFF94InteractionData &ia_data)
Definition of the class CDPL::ForceField::MMFF94ElectrostaticInteractionData.
const MMFF94OutOfPlaneBendingInteractionData & getOutOfPlaneBendingInteractions() const
const MMFF94VanDerWaalsInteractionData & getVanDerWaalsInteractions() const
The namespace of the Chemical Data Processing Library.
Definition of the class CDPL::ForceField::MMFF94StretchBendInteractionData.
const MMFF94TorsionInteractionData & getTorsionInteractions() const
MMFF94OutOfPlaneBendingInteractionData & getOutOfPlaneBendingInteractions()
MMFF94TorsionInteractionData & getTorsionInteractions()
MMFF94AngleBendingInteractionData & getAngleBendingInteractions()
#define CDPL_FORCEFIELD_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
const MMFF94AngleBendingInteractionData & getAngleBendingInteractions() const
const MMFF94BondStretchingInteractionData & getBondStretchingInteractions() const