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core::scoring::etable::count_pair::CountPairGeneric Class Reference

#include <CountPairGeneric.hh>

Inheritance diagram for core::scoring::etable::count_pair::CountPairGeneric:
Inheritance graph
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Public Types

typedef CountPairFunction parent
 

Public Member Functions

 CountPairGeneric (conformation::Residue const &res1, conformation::Residue const &res2)
 
 CountPairGeneric (chemical::ResidueType const &restype1, chemical::ResidueType const &restype2, utility::vector1< std::pair< Size, Size > > bond_pairs)
 Create a count pair object that pretends there exist a chemical bond between some number of atoms in residue 1 and some number of atoms in residue2; the bond_pairs vector is a set of ordered-pairs of atom-indices, where the first is an atom from restype1 and the second is an atom of restype2. More...
 
void set_crossover (Size)
 
 ~CountPairGeneric () override
 
bool operator() (int const at1, int const at2, Real &weight, Size &minpathdist) const
 function required by templated functions in atom_pair_energy_inline More...
 
int path_distance (int const at1, int const at2) const
 
bool count (int const at1, int const at2, Real &, Size &path_dist) const override
 
void residue_atom_pair_energy (conformation::Residue const &res1, conformation::Residue const &res2, etable::TableLookupEvaluator const &, EnergyMap &) const override
 Type Resolution Functions ///. More...
 
void residue_atom_pair_energy_sidechain_backbone (conformation::Residue const &, conformation::Residue const &, etable::TableLookupEvaluator const &, EnergyMap &) const override
 
void residue_atom_pair_energy_sidechain_whole (conformation::Residue const &, conformation::Residue const &, etable::TableLookupEvaluator const &, EnergyMap &) const override
 
void residue_atom_pair_energy_backbone_backbone (conformation::Residue const &, conformation::Residue const &, etable::TableLookupEvaluator const &, EnergyMap &) const override
 
void residue_atom_pair_energy_sidechain_sidechain (conformation::Residue const &, conformation::Residue const &, etable::TableLookupEvaluator const &, EnergyMap &) const override
 
void residue_atom_pair_energy (conformation::Residue const &res1, conformation::Residue const &res2, etable::AnalyticEtableEvaluator const &, EnergyMap &) const override
 
void residue_atom_pair_energy_sidechain_backbone (conformation::Residue const &, conformation::Residue const &, etable::AnalyticEtableEvaluator const &, EnergyMap &) const override
 
void residue_atom_pair_energy_sidechain_whole (conformation::Residue const &, conformation::Residue const &, etable::AnalyticEtableEvaluator const &, EnergyMap &) const override
 
void residue_atom_pair_energy_backbone_backbone (conformation::Residue const &, conformation::Residue const &, etable::AnalyticEtableEvaluator const &, EnergyMap &) const override
 
void residue_atom_pair_energy_sidechain_sidechain (conformation::Residue const &, conformation::Residue const &, etable::AnalyticEtableEvaluator const &, EnergyMap &) const override
 
- Public Member Functions inherited from core::scoring::etable::count_pair::CountPairFunction
 CountPairFunction ()
 
 ~CountPairFunction () override
 
bool operator() (int const at1, int const at2, Real &, Size &path_dist) const
 

Private Attributes

Size n_connect_
 
utility::vector1
< utility::vector1< int >
const * > 
res1_conn_point_path_dists_
 
utility::vector1
< utility::vector1< int >
const * > 
res2_conn_point_path_dists_
 
Size n_pconnect_
 
utility::vector1
< utility::vector1< int >
const * > 
res1_pbconn_point_path_dists_
 
utility::vector1
< utility::vector1< int >
const * > 
res2_pbconn_point_path_dists_
 
utility::vector1< int > pb_lengths_
 
int crossover_
 

Additional Inherited Members

- Static Public Attributes inherited from core::scoring::etable::count_pair::CountPairFunction
static Real const cp_half
 

Member Typedef Documentation

Constructor & Destructor Documentation

core::scoring::etable::count_pair::CountPairGeneric::CountPairGeneric ( conformation::Residue const &  res1,
conformation::Residue const &  res2 
)
core::scoring::etable::count_pair::CountPairGeneric::CountPairGeneric ( chemical::ResidueType const &  restype1,
chemical::ResidueType const &  restype2,
utility::vector1< std::pair< Size, Size > >  bond_pairs 
)

Create a count pair object that pretends there exist a chemical bond between some number of atoms in residue 1 and some number of atoms in residue2; the bond_pairs vector is a set of ordered-pairs of atom-indices, where the first is an atom from restype1 and the second is an atom of restype2.

References n_connect_, core::chemical::ResidueType::path_distance(), res1_conn_point_path_dists_, and res2_conn_point_path_dists_.

core::scoring::etable::count_pair::CountPairGeneric::~CountPairGeneric ( )
overridedefault

Member Function Documentation

bool core::scoring::etable::count_pair::CountPairGeneric::count ( int const  at1,
int const  at2,
Real weight,
Size path_dist 
) const
overridevirtual
bool core::scoring::etable::count_pair::CountPairGeneric::operator() ( int const  at1,
int const  at2,
Real weight,
Size minpathdist 
) const
inline

function required by templated functions in atom_pair_energy_inline

References core::scoring::etable::count_pair::CountPairFunction::cp_half, crossover_, and path_distance().

Referenced by count().

int core::scoring::etable::count_pair::CountPairGeneric::path_distance ( int const  at1,
int const  at2 
) const
inline
void core::scoring::etable::count_pair::CountPairGeneric::residue_atom_pair_energy ( conformation::Residue const &  res1,
conformation::Residue const &  res2,
etable::TableLookupEvaluator const &  etable_energy,
EnergyMap emap 
) const
overridevirtual
void core::scoring::etable::count_pair::CountPairGeneric::residue_atom_pair_energy ( conformation::Residue const &  res1,
conformation::Residue const &  res2,
etable::AnalyticEtableEvaluator const &  etable_energy,
EnergyMap emap 
) const
overridevirtual
void core::scoring::etable::count_pair::CountPairGeneric::residue_atom_pair_energy_backbone_backbone ( conformation::Residue const &  res1,
conformation::Residue const &  res2,
etable::TableLookupEvaluator const &  etable_energy,
EnergyMap emap 
) const
overridevirtual
void core::scoring::etable::count_pair::CountPairGeneric::residue_atom_pair_energy_backbone_backbone ( conformation::Residue const &  res1,
conformation::Residue const &  res2,
etable::AnalyticEtableEvaluator const &  etable_energy,
EnergyMap emap 
) const
overridevirtual
void core::scoring::etable::count_pair::CountPairGeneric::residue_atom_pair_energy_sidechain_backbone ( conformation::Residue const &  res1,
conformation::Residue const &  res2,
etable::TableLookupEvaluator const &  etable_energy,
EnergyMap emap 
) const
overridevirtual
void core::scoring::etable::count_pair::CountPairGeneric::residue_atom_pair_energy_sidechain_backbone ( conformation::Residue const &  res1,
conformation::Residue const &  res2,
etable::AnalyticEtableEvaluator const &  etable_energy,
EnergyMap emap 
) const
overridevirtual
void core::scoring::etable::count_pair::CountPairGeneric::residue_atom_pair_energy_sidechain_sidechain ( conformation::Residue const &  res1,
conformation::Residue const &  res2,
etable::TableLookupEvaluator const &  etable_energy,
EnergyMap emap 
) const
overridevirtual
void core::scoring::etable::count_pair::CountPairGeneric::residue_atom_pair_energy_sidechain_sidechain ( conformation::Residue const &  res1,
conformation::Residue const &  res2,
etable::AnalyticEtableEvaluator const &  etable_energy,
EnergyMap emap 
) const
overridevirtual
void core::scoring::etable::count_pair::CountPairGeneric::residue_atom_pair_energy_sidechain_whole ( conformation::Residue const &  res1,
conformation::Residue const &  res2,
etable::TableLookupEvaluator const &  etable_energy,
EnergyMap emap 
) const
overridevirtual
void core::scoring::etable::count_pair::CountPairGeneric::residue_atom_pair_energy_sidechain_whole ( conformation::Residue const &  res1,
conformation::Residue const &  res2,
etable::AnalyticEtableEvaluator const &  etable_energy,
EnergyMap emap 
) const
overridevirtual
void core::scoring::etable::count_pair::CountPairGeneric::set_crossover ( Size  xover)

Member Data Documentation

int core::scoring::etable::count_pair::CountPairGeneric::crossover_
private

Referenced by operator()(), and set_crossover().

Size core::scoring::etable::count_pair::CountPairGeneric::n_connect_
private

Referenced by CountPairGeneric(), and path_distance().

Size core::scoring::etable::count_pair::CountPairGeneric::n_pconnect_
private

Referenced by CountPairGeneric(), and path_distance().

utility::vector1< int > core::scoring::etable::count_pair::CountPairGeneric::pb_lengths_
private

Referenced by CountPairGeneric(), and path_distance().

utility::vector1< utility::vector1< int > const * > core::scoring::etable::count_pair::CountPairGeneric::res1_conn_point_path_dists_
private

Referenced by CountPairGeneric(), and path_distance().

utility::vector1< utility::vector1< int > const * > core::scoring::etable::count_pair::CountPairGeneric::res1_pbconn_point_path_dists_
private

Referenced by CountPairGeneric(), and path_distance().

utility::vector1< utility::vector1< int > const * > core::scoring::etable::count_pair::CountPairGeneric::res2_conn_point_path_dists_
private

Referenced by CountPairGeneric(), and path_distance().

utility::vector1< utility::vector1< int > const * > core::scoring::etable::count_pair::CountPairGeneric::res2_pbconn_point_path_dists_
private

Referenced by CountPairGeneric(), and path_distance().


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