core::scoring::vdwaals::VDWTrieEvaluator Class Reference

#include <VDW_Energy.hh>

Public Member Functions
	VDWTrieEvaluator (VDW_Energy const &vdw_, Real const atomic_interaction_cutoff_, Real const hydrogen_interaction_cutoff2_, Real const vdw_weight_)
Distance	atomic_interaction_cutoff () const
Real	hydrogen_interaction_cutoff2 () const
Real	vdw_weight () const
Energy	heavyatom_heavyatom_energy (VDWAtom const &at1, VDWAtom const &at2, DistanceSquared &d2, Size &) const
Energy	heavyatom_hydrogenatom_energy (VDWAtom const &at1, VDWAtom const &at2, Size &) const
Energy	hydrogenatom_heavyatom_energy (VDWAtom const &at1, VDWAtom const &at2, Size &) const
Energy	hydrogenatom_hydrogenatom_energy (VDWAtom const &at1, VDWAtom const &at2, Size &) const
Energy	weighted_atom_pair_energy (VDWAtom const &at1, VDWAtom const &at2, Real &d2) const
	VDWTrieEvaluator (VDW_Energy const &vdw_, Real const atomic_interaction_cutoff_, Real const hydrogen_interaction_cutoff2_, Real const vdw_weight_)
Distance	atomic_interaction_cutoff () const
Real	hydrogen_interaction_cutoff2 () const
Real	vdw_weight () const
Energy	heavyatom_heavyatom_energy (VDWAtom const &at1, VDWAtom const &at2, DistanceSquared &d2, Size &) const
Energy	heavyatom_hydrogenatom_energy (VDWAtom const &at1, VDWAtom const &at2, Size &) const
Energy	hydrogenatom_heavyatom_energy (VDWAtom const &at1, VDWAtom const &at2, Size &) const
Energy	hydrogenatom_hydrogenatom_energy (VDWAtom const &at1, VDWAtom const &at2, Size &) const
Energy	weighted_atom_pair_energy (VDWAtom const &at1, VDWAtom const &at2, Real &d2) const

Private Attributes
VDW_Energy const &	vdw_
Real const	atomic_interaction_cutoff_
Real const	hydrogen_interaction_cutoff2_
Real const	vdw_weight_

Constructor & Destructor Documentation

core::scoring::vdwaals::VDWTrieEvaluator::VDWTrieEvaluator	(	VDW_Energy const &	vdw_,
		Real const	atomic_interaction_cutoff_,
		Real const	hydrogen_interaction_cutoff2_,
		Real const	vdw_weight_
	)

core::scoring::vdwaals::VDWTrieEvaluator::VDWTrieEvaluator	(	VDW_Energy const &	vdw_,
		Real const	atomic_interaction_cutoff_,
		Real const	hydrogen_interaction_cutoff2_,
		Real const	vdw_weight_
	)

Member Function Documentation

Distance core::scoring::vdwaals::VDWTrieEvaluator::atomic_interaction_cutoff

(

)

const

Distance core::scoring::vdwaals::VDWTrieEvaluator::atomic_interaction_cutoff

(

)

const

References atomic_interaction_cutoff_.

Energy core::scoring::vdwaals::VDWTrieEvaluator::heavyatom_heavyatom_energy ( VDWAtom const &  at1, VDWAtom const &  at2, DistanceSquared &  d2, Size &    ) const

inline

References weighted_atom_pair_energy().

Energy core::scoring::vdwaals::VDWTrieEvaluator::heavyatom_heavyatom_energy ( VDWAtom const &  at1, VDWAtom const &  at2, DistanceSquared &  d2, Size &    ) const

inline

References weighted_atom_pair_energy().

Energy core::scoring::vdwaals::VDWTrieEvaluator::heavyatom_hydrogenatom_energy ( VDWAtom const &  at1, VDWAtom const &  at2, Size &    ) const

inline

References weighted_atom_pair_energy().

Energy core::scoring::vdwaals::VDWTrieEvaluator::heavyatom_hydrogenatom_energy ( VDWAtom const &  at1, VDWAtom const &  at2, Size &    ) const

inline

References weighted_atom_pair_energy().

Real core::scoring::vdwaals::VDWTrieEvaluator::hydrogen_interaction_cutoff2

(

)

const

Real core::scoring::vdwaals::VDWTrieEvaluator::hydrogen_interaction_cutoff2

(

)

const

References hydrogen_interaction_cutoff2_.

Energy core::scoring::vdwaals::VDWTrieEvaluator::hydrogenatom_heavyatom_energy ( VDWAtom const &  at1, VDWAtom const &  at2, Size &    ) const

inline

References weighted_atom_pair_energy().

Energy core::scoring::vdwaals::VDWTrieEvaluator::hydrogenatom_heavyatom_energy ( VDWAtom const &  at1, VDWAtom const &  at2, Size &    ) const

inline

References weighted_atom_pair_energy().

Energy core::scoring::vdwaals::VDWTrieEvaluator::hydrogenatom_hydrogenatom_energy ( VDWAtom const &  at1, VDWAtom const &  at2, Size &    ) const

inline

References weighted_atom_pair_energy().

Energy core::scoring::vdwaals::VDWTrieEvaluator::hydrogenatom_hydrogenatom_energy ( VDWAtom const &  at1, VDWAtom const &  at2, Size &    ) const

inline

References weighted_atom_pair_energy().

Real core::scoring::vdwaals::VDWTrieEvaluator::vdw_weight

(

)

const

Real core::scoring::vdwaals::VDWTrieEvaluator::vdw_weight

(

)

const

References vdw_weight_.

Energy core::scoring::vdwaals::VDWTrieEvaluator::weighted_atom_pair_energy ( VDWAtom const &  at1, VDWAtom const &  at2, Real &  d2  ) const

inline

References core::scoring::vdwaals::VDW_Energy::atom_pair_energy(), vdw_, and vdw_weight_.

Energy core::scoring::vdwaals::VDWTrieEvaluator::weighted_atom_pair_energy ( VDWAtom const &  at1, VDWAtom const &  at2, Real &  d2  ) const

inline

References core::scoring::vdwaals::VDW_Energy::atom_pair_energy().

Referenced by heavyatom_heavyatom_energy(), heavyatom_hydrogenatom_energy(), hydrogenatom_heavyatom_energy(), and hydrogenatom_hydrogenatom_energy().

Member Data Documentation

Real const core::scoring::vdwaals::VDWTrieEvaluator::atomic_interaction_cutoff_

private

Referenced by atomic_interaction_cutoff().

Real const core::scoring::vdwaals::VDWTrieEvaluator::hydrogen_interaction_cutoff2_

private

Referenced by hydrogen_interaction_cutoff2().

VDW_Energy const & core::scoring::vdwaals::VDWTrieEvaluator::vdw_

private

Referenced by weighted_atom_pair_energy().

Real const core::scoring::vdwaals::VDWTrieEvaluator::vdw_weight_

private

Referenced by vdw_weight(), and weighted_atom_pair_energy().

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

• src/core/scoring/methods/VDW_Energy.hh
• src/core/scoring/vdwaals/VDW_Energy.cc