protocols::sic_dock::scores::TrisBpyScore Class Reference

#include <TrisBpyScore.hh>

Inheritance diagram for protocols::sic_dock::scores::TrisBpyScore:

Public Member Functions
	TrisBpyScore (core::pose::Pose const &pose, Real const &tolerance=0.3, Real const &min_bpy_contacts_=15)
	~TrisBpyScore () override
core::Real	score (Xforms const &x1s, Xforms const &x2s) const override
core::Real	score_extra (Xforms const &x1s, Xforms const &x2s, Real &cbc, Real &err, int &chirl, Xform &xbpy) const
void	dump_trisbpy (Xforms const &x1s, Xforms const &x2s, std::string const &fname) const
void	show (std::ostream &out, int width=10) const override
void	show (std::ostream &out, Xforms const &x1s, Xforms const &x2s, int width=10) const override
std::string	type () const override
Public Member Functions inherited from protocols::sic_dock::RigidScore
	~RigidScore () override=default

Private Attributes
core::pose::Pose const &	pose_
numeric::Xforms	bbx_
core::pose::xyzStripeHashPoseCOP	cc_
Vecs	cb_
Real const	tolerance_
Real const	min_bpy_contacts_

Additional Inherited Members
Protected Types inherited from protocols::sic_dock::RigidScore
typedef core::Real	Real
typedef core::Size	Size
typedef core::pose::Pose	Pose
typedef numeric::xyzVector< Real >	Vec
typedef numeric::xyzMatrix< Real >	Mat
typedef utility::vector1< Vec >	Vecs
typedef utility::vector1< Real >	Reals
typedef utility::vector1 < core::Size >	Sizes
typedef numeric::Xforms	Xforms
typedef utility::vector1 < RigidScoreCOP >	Scores

Constructor & Destructor Documentation

protocols::sic_dock::scores::TrisBpyScore::TrisBpyScore	(	core::pose::Pose const &	pose,
		Real const &	tolerance = 0.3,
		Real const &	min_bpy_contacts_ = 15
	)

References bbx_, protocols::sic_dock::scores::C(), protocols::sic_dock::scores::CA(), cb_, cc_, protocols::sic_dock::scores::N(), core::conformation::Residue::nbr_atom_xyz(), pose_, core::pose::PoseCoordPickMode_BB, core::pose::Pose::residue(), core::pose::Pose::secstruct(), core::pose::Pose::size(), and core::conformation::Residue::xyz().

protocols::sic_dock::scores::TrisBpyScore::~TrisBpyScore ( )

overridedefault

Member Function Documentation

void protocols::sic_dock::scores::TrisBpyScore::dump_trisbpy	(	Xforms const &	x1s,
		Xforms const &	x2s,
		std::string const &	fname
	)		const

References core::conformation::membrane::out, protocols::sic_dock::scores::printbpy(), and score_extra().

core::Real protocols::sic_dock::scores::TrisBpyScore::score ( Xforms const &  x1s, Xforms const &  x2s  ) const

overridevirtual

Implements protocols::sic_dock::RigidScore.

References score_extra().

core::Real protocols::sic_dock::scores::TrisBpyScore::score_extra	(	Xforms const &	x1s,
		Xforms const &	x2s,
		Real &	cbc,
		Real &	err,
		int &	chirl,
		Xform &	xbpy
	)		const

References bbx_, cb_, protocols::sic_dock::scores::CBlocal(), protocols::sic_dock::CBScore_dist_score(), cc_, protocols::sic_dock::scores::CG(), protocols::sic_dock::scores::chiral, protocols::sic_dock::scores::clash_coords, core::kinematics::tree::distance_squared(), min_bpy_contacts_, protocols::sic_dock::scores::nbr, protocols::sic_dock::scores::R3z, and tolerance_.

Referenced by dump_trisbpy(), score(), and show().

void protocols::sic_dock::scores::TrisBpyScore::show ( std::ostream &  out, int  width = 10  ) const

overridevirtual

Reimplemented from protocols::sic_dock::RigidScore.

void protocols::sic_dock::scores::TrisBpyScore::show ( std::ostream &  out, Xforms const &  x1s, Xforms const &  x2s, int  width = 10  ) const

overridevirtual

Reimplemented from protocols::sic_dock::RigidScore.

References core::chemical::element::F, core::chemical::element::I, and score_extra().

std::string protocols::sic_dock::scores::TrisBpyScore::type ( ) const

inlineoverridevirtual

Implements protocols::sic_dock::RigidScore.

Member Data Documentation

numeric::Xforms protocols::sic_dock::scores::TrisBpyScore::bbx_

private

Referenced by score_extra(), and TrisBpyScore().

Vecs protocols::sic_dock::scores::TrisBpyScore::cb_

private

Referenced by score_extra(), and TrisBpyScore().

core::pose::xyzStripeHashPoseCOP protocols::sic_dock::scores::TrisBpyScore::cc_

private

Referenced by score_extra(), and TrisBpyScore().

Real const protocols::sic_dock::scores::TrisBpyScore::min_bpy_contacts_

private

Referenced by score_extra().

core::pose::Pose const& protocols::sic_dock::scores::TrisBpyScore::pose_

private

Referenced by TrisBpyScore().

Real const protocols::sic_dock::scores::TrisBpyScore::tolerance_

private

Referenced by score_extra().

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

• src/protocols/sic_dock/scores/TrisBpyScore.hh
• src/protocols/sic_dock/scores/TrisBpyScore.cc