core::scoring::etable::count_pair::CountPairFactory Class Reference

#include <CountPairFactory.hh>

Static Public Member Functions
static CountPairFunctionOP	create_count_pair_function (conformation::Residue const &, conformation::Residue const &, CPCrossoverBehavior)
static void	create_count_pair_function_and_invoke (conformation::Residue const &, conformation::Residue const &, CPCrossoverBehavior, Invoker &invoker)
static CPResidueConnectionType	determine_residue_connection (conformation::Residue const &res1, conformation::Residue const &res2)
static CountPairFunctionOP	create_intrares_count_pair_function (conformation::Residue const &, CPCrossoverBehavior)

Member Function Documentation

create_count_pair_function()

CountPairFunctionOP core::scoring::etable::count_pair::CountPairFactory::create_count_pair_function ( conformation::Residue const &  res1, conformation::Residue const &  res2, CPCrossoverBehavior  crossover  )

static

References core::chemical::ResidueConnection::atomno(), core::conformation::Residue::connections_to_residue(), core::scoring::etable::count_pair::CP_CROSSOVER_3, core::scoring::etable::count_pair::CP_CROSSOVER_34, core::scoring::etable::count_pair::CP_CROSSOVER_3FULL, core::scoring::etable::count_pair::CP_CROSSOVER_4, core::scoring::etable::count_pair::CP_NO_BONDS, core::scoring::etable::count_pair::CP_ONE_BOND, protocols::ligand_docking::ga_ligand_dock::crossover(), determine_residue_connection(), core::conformation::Residue::polymeric_sequence_distance(), core::conformation::Residue::residue_connection(), and core::conformation::Residue::seqpos().

Referenced by core::scoring::etable::BaseEtableEnergy< Derived >::atomistic_pair_energy(), core::scoring::MultipoleElecPotential::calculate_and_store_all_derivs(), core::scoring::VdWTinkerPotential::eval_residue_pair_derivatives(), core::energy_methods::ExactOccludedHbondSolEnergy::get_atom_lk_energy(), core::scoring::MultipoleElecPotential::get_res_res_elecE(), and core::scoring::VdWTinkerPotential::get_res_res_vdw().

create_count_pair_function_and_invoke()

void core::scoring::etable::count_pair::CountPairFactory::create_count_pair_function_and_invoke ( conformation::Residue const &  res1, conformation::Residue const &  res2, CPCrossoverBehavior  crossover, Invoker &  invoker  )

static

Instantiate a count-pair function on the stack and rely on an invoker to call a function of the newly created count-pair function. The count-pair function is removed from the stack without new or delete having been called.

References core::chemical::ResidueConnection::atomno(), core::conformation::Residue::connections_to_residue(), core::scoring::etable::count_pair::CP_CROSSOVER_3, core::scoring::etable::count_pair::CP_CROSSOVER_34, core::scoring::etable::count_pair::CP_CROSSOVER_3FULL, core::scoring::etable::count_pair::CP_CROSSOVER_4, core::scoring::etable::count_pair::CP_NO_BONDS, core::scoring::etable::count_pair::CP_ONE_BOND, protocols::ligand_docking::ga_ligand_dock::crossover(), determine_residue_connection(), core::scoring::etable::count_pair::Invoker::invoke(), core::chemical::ResidueTypeBase::name(), core::conformation::Residue::polymeric_sequence_distance(), core::conformation::Residue::residue_connection(), core::conformation::Residue::seqpos(), core::scoring::etable::count_pair::CountPairGeneric::set_crossover(), and core::conformation::Residue::type().

Referenced by core::scoring::etable::BaseEtableEnergy< Derived >::backbone_backbone_energy(), core::scoring::etable::BaseEtableEnergy< Derived >::backbone_sidechain_energy(), core::scoring::etable::BaseEtableEnergy< Derived >::bump_energy_backbone(), core::scoring::etable::BaseEtableEnergy< Derived >::bump_energy_full(), core::scoring::etable::BaseEtableEnergy< Derived >::residue_pair_energy(), and core::scoring::etable::BaseEtableEnergy< Derived >::sidechain_sidechain_energy().

create_intrares_count_pair_function()

CountPairFunctionOP core::scoring::etable::count_pair::CountPairFactory::create_intrares_count_pair_function ( conformation::Residue const &  res, CPCrossoverBehavior  crossover  )

static

References core::scoring::etable::count_pair::CP_CROSSOVER_3, core::scoring::etable::count_pair::CP_CROSSOVER_34, core::scoring::etable::count_pair::CP_CROSSOVER_3FULL, core::scoring::etable::count_pair::CP_CROSSOVER_4, and protocols::ligand_docking::ga_ligand_dock::crossover().

Referenced by core::scoring::MultipoleElecPotential::calculate_and_store_all_derivs(), core::scoring::VdWTinkerPotential::eval_residue_pair_derivatives(), core::scoring::MultipoleElecPotential::get_res_res_elecE(), and core::scoring::VdWTinkerPotential::get_res_res_vdw().

determine_residue_connection()

CPResidueConnectionType core::scoring::etable::count_pair::CountPairFactory::determine_residue_connection ( conformation::Residue const &  res1, conformation::Residue const &  res2  )

static

References core::conformation::Residue::connections_to_residue(), core::scoring::etable::count_pair::CP_MULTIPLE_BONDS_OR_PSEUDOBONDS, core::scoring::etable::count_pair::CP_NO_BONDS, core::scoring::etable::count_pair::CP_ONE_BOND, core::conformation::Residue::is_bonded(), core::conformation::Residue::is_pseudo_bonded(), and core::conformation::Residue::seqpos().

Referenced by create_count_pair_function(), and create_count_pair_function_and_invoke().

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

• src/core/scoring/etable/count_pair/CountPairFactory.hh
• src/core/scoring/etable/count_pair/CountPairFactory.cc