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Public Member Functions | Private Attributes | List of all members
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 &, core::scoring::trie::TrieVsTrieCachedDataContainerBase const *const ) const
 
Energy hydrogenatom_heavyatom_energy (VDWAtom const &at1, VDWAtom const &at2, Size &, core::scoring::trie::TrieVsTrieCachedDataContainerBase const *const ) const
 
Energy hydrogenatom_hydrogenatom_energy (VDWAtom const &at1, VDWAtom const &at2, Size &, core::scoring::trie::TrieVsTrieCachedDataContainerBase const *const ) 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_ 
)

Member Function Documentation

Distance core::scoring::vdwaals::VDWTrieEvaluator::atomic_interaction_cutoff ( ) const
Energy core::scoring::vdwaals::VDWTrieEvaluator::heavyatom_heavyatom_energy ( VDWAtom const &  at1,
VDWAtom const &  at2,
DistanceSquared d2,
Size  
) const
inline
Energy core::scoring::vdwaals::VDWTrieEvaluator::heavyatom_hydrogenatom_energy ( VDWAtom const &  at1,
VDWAtom const &  at2,
Size ,
core::scoring::trie::TrieVsTrieCachedDataContainerBase const *  const 
) const
inline
Real core::scoring::vdwaals::VDWTrieEvaluator::hydrogen_interaction_cutoff2 ( ) const
Energy core::scoring::vdwaals::VDWTrieEvaluator::hydrogenatom_heavyatom_energy ( VDWAtom const &  at1,
VDWAtom const &  at2,
Size ,
core::scoring::trie::TrieVsTrieCachedDataContainerBase const *  const 
) const
inline
Energy core::scoring::vdwaals::VDWTrieEvaluator::hydrogenatom_hydrogenatom_energy ( VDWAtom const &  at1,
VDWAtom const &  at2,
Size ,
core::scoring::trie::TrieVsTrieCachedDataContainerBase const *  const 
) const
inline
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

Member Data Documentation

Real const core::scoring::vdwaals::VDWTrieEvaluator::atomic_interaction_cutoff_
private
Real const core::scoring::vdwaals::VDWTrieEvaluator::hydrogen_interaction_cutoff2_
private
VDW_Energy const& core::scoring::vdwaals::VDWTrieEvaluator::vdw_
private
Real const core::scoring::vdwaals::VDWTrieEvaluator::vdw_weight_
private

Referenced by vdw_weight().


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