protocols::scoring::InterchainPotential Class Reference

#include <InterchainPotential.hh>

Inheritance diagram for protocols::scoring::InterchainPotential:

Collaboration diagram for protocols::scoring::InterchainPotential:

List of all members.

Public Member Functions
void	compute_interface (core::pose::Pose &pose) const
void	finalize (core::pose::Pose &pose) const
void	evaluate_env_score (core::pose::Pose const &pose, core::conformation::Residue const &rsd, core::Real &env_score) const
void	evaluate_contact_score (core::pose::Pose const &pose, core::Real &contact_score) const
void	evaluate_pair_and_vdw_score (core::pose::Pose const &pose, core::conformation::Residue const &rsd1, core::conformation::Residue const &rsd2, core::Real &pair_score, core::Real &vdw_score) const
InterfaceInfo const &	interface_from_pose (core::pose::Pose const &) const
InterfaceInfo &	nonconst_interface_from_pose (core::pose::Pose &) const
Static Public Member Functions
static InterchainPotential *	get_instance ()

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Member Function Documentation

void protocols::scoring::InterchainPotential::compute_interface

(

core::pose::Pose &

pose

)

const

References protocols::scoring::InterfaceInfo::calculate(), protocols::scoring::InterfaceInfo::calculated(), protocols::scoring::InterfaceInfo::initialize(), and nonconst_interface_from_pose().

Referenced by protocols::scoring::methods::InterchainPairEnergy::setup_for_scoring(), and protocols::scoring::methods::InterchainEnvEnergy::setup_for_scoring().

void protocols::scoring::InterchainPotential::evaluate_contact_score	(	core::pose::Pose const &	pose,
		core::Real &	contact_score
	)		const

References interface_from_pose(), protocols::scoring::InterfaceInfo::interface_nres(), and protocols::scoring::InterfaceInfo::num_jump().

void protocols::scoring::InterchainPotential::evaluate_env_score	(	core::pose::Pose const &	pose,
		core::conformation::Residue const &	rsd,
		core::Real &	env_score
	)		const

References core::conformation::Residue::aa(), core::scoring::EnvPairPotential::cenlist_from_pose(), core::scoring::env, interface_from_pose(), protocols::scoring::InterfaceInfo::is_interface(), core::conformation::Residue::is_protein(), and core::conformation::Residue::seqpos().

void protocols::scoring::InterchainPotential::evaluate_pair_and_vdw_score	(	core::pose::Pose const &	pose,
		core::conformation::Residue const &	rsd1,
		core::conformation::Residue const &	rsd2,
		core::Real &	pair_score,
		core::Real &	vdw_score
	)		const

References core::conformation::Residue::aa(), core::conformation::Residue::atom_type_index(), interface_from_pose(), protocols::scoring::InterfaceInfo::is_pair(), core::conformation::Residue::is_protein(), core::conformation::Residue::natoms(), and core::conformation::Residue::xyz().

void protocols::scoring::InterchainPotential::finalize

(

core::pose::Pose &

pose

)

const

Reimplemented from core::scoring::EnvPairPotential.

References protocols::scoring::InterfaceInfo::calculated(), core::scoring::CenListInfo::calculated(), core::scoring::EnvPairPotential::nonconst_cenlist_from_pose(), and nonconst_interface_from_pose().

InterchainPotential * protocols::scoring::InterchainPotential::get_instance

(

)

[static]

InterfaceInfo const & protocols::scoring::InterchainPotential::interface_from_pose

(

core::pose::Pose const &

pose

)

const

Pose must already contain a Interface object or this method will fail

References core::pose::Pose::data(), and core::pose::datacache::CacheableDataType::INTERFACE_INFO.

Referenced by evaluate_contact_score(), evaluate_env_score(), and evaluate_pair_and_vdw_score().

InterfaceInfo & protocols::scoring::InterchainPotential::nonconst_interface_from_pose

(

core::pose::Pose &

pose

)

const

Either returns a non-const reference to the Interface object that already exists in the pose, or creates a new Interface object, places it in the pose, and then returns a non-const reference to it

References core::pose::Pose::data(), and core::pose::datacache::CacheableDataType::INTERFACE_INFO.

Referenced by compute_interface(), and finalize().

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

• src/protocols/scoring/InterchainPotential.hh
• src/protocols/scoring/InterchainPotential.cc