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Public Member Functions | Private Attributes | List of all members
core::scoring::elec::electrie::ElecTrieEvaluator Class Reference

#include <ElecTrieEvaluator.hh>

Public Member Functions

 ElecTrieEvaluator (core::Real wt_bb_bb, core::Real wt_bb_sc, core::Real wt_sc_bb, core::Real wt_sc_sc, core::scoring::elec::FA_ElecEnergy const &elec)
 
 ~ElecTrieEvaluator ()
 
Real elec_weight (bool at1isbb, bool at2isbb) const
 
Energy heavyatom_heavyatom_energy (ElecAtom const &at1, ElecAtom const &at2, DistanceSquared &d2, Size &) const
 
Energy heavyatom_hydrogenatom_energy (ElecAtom const &at1, ElecAtom const &at2, Size &, core::scoring::trie::TrieVsTrieCachedDataContainerBase const *const ) const
 
Energy hydrogenatom_heavyatom_energy (ElecAtom const &at1, ElecAtom const &at2, Size &, core::scoring::trie::TrieVsTrieCachedDataContainerBase const *const ) const
 
Energy hydrogenatom_hydrogenatom_energy (ElecAtom const &at1, ElecAtom const &at2, Size &, core::scoring::trie::TrieVsTrieCachedDataContainerBase const *const ) const
 
core::Real hydrogen_interaction_cutoff2 () const
 

Private Attributes

core::Real wbb_bb_
 
core::Real wbb_sc_
 
core::Real wsc_bb_
 
core::Real wsc_sc_
 
core::scoring::elec::FA_ElecEnergy
const & 
elec_
 

Constructor & Destructor Documentation

core::scoring::elec::electrie::ElecTrieEvaluator::ElecTrieEvaluator ( core::Real  wt_bb_bb,
core::Real  wt_bb_sc,
core::Real  wt_sc_bb,
core::Real  wt_sc_sc,
core::scoring::elec::FA_ElecEnergy const &  elec 
)
core::scoring::elec::electrie::ElecTrieEvaluator::~ElecTrieEvaluator ( )
default

Member Function Documentation

Real core::scoring::elec::electrie::ElecTrieEvaluator::elec_weight ( bool  at1isbb,
bool  at2isbb 
) const
inline
Energy core::scoring::elec::electrie::ElecTrieEvaluator::heavyatom_heavyatom_energy ( ElecAtom const &  at1,
ElecAtom const &  at2,
DistanceSquared d2,
Size  
) const
inline
Energy core::scoring::elec::electrie::ElecTrieEvaluator::heavyatom_hydrogenatom_energy ( ElecAtom const &  at1,
ElecAtom const &  at2,
Size ,
core::scoring::trie::TrieVsTrieCachedDataContainerBase const *  const 
) const
inline
core::Real core::scoring::elec::electrie::ElecTrieEvaluator::hydrogen_interaction_cutoff2 ( ) const
Energy core::scoring::elec::electrie::ElecTrieEvaluator::hydrogenatom_heavyatom_energy ( ElecAtom const &  at1,
ElecAtom const &  at2,
Size ,
core::scoring::trie::TrieVsTrieCachedDataContainerBase const *  const 
) const
inline
Energy core::scoring::elec::electrie::ElecTrieEvaluator::hydrogenatom_hydrogenatom_energy ( ElecAtom const &  at1,
ElecAtom const &  at2,
Size ,
core::scoring::trie::TrieVsTrieCachedDataContainerBase const *  const 
) const
inline

Member Data Documentation

core::scoring::elec::FA_ElecEnergy const& core::scoring::elec::electrie::ElecTrieEvaluator::elec_
private
core::Real core::scoring::elec::electrie::ElecTrieEvaluator::wbb_bb_
private

Referenced by elec_weight().

core::Real core::scoring::elec::electrie::ElecTrieEvaluator::wbb_sc_
private

Referenced by elec_weight().

core::Real core::scoring::elec::electrie::ElecTrieEvaluator::wsc_bb_
private

Referenced by elec_weight().

core::Real core::scoring::elec::electrie::ElecTrieEvaluator::wsc_sc_
private

Referenced by elec_weight().


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