protocols::sic_dock::SICFast Class Reference

#include <SICFast.hh>

Inheritance diagram for protocols::sic_dock::SICFast:

Collaboration diagram for protocols::sic_dock::SICFast:

Public Types
typedef numeric::xyzVector < platform::Real >	Vec

Public Member Functions
	SICFast ()
	SICFast (core::Real clash_dis)
virtual	~SICFast ()
void	init (core::pose::Pose const &pose1)
void	init (core::pose::Pose const &pose1, core::pose::Pose const &pose2)
void	init (core::pose::Pose const &pose1, core::id::AtomID_Map< platform::Real > const &clash_atoms1)
void	init (core::pose::Pose const &pose1, core::pose::Pose const &pose2, core::id::AtomID_Map< platform::Real > const &clash_atoms1, core::id::AtomID_Map< platform::Real > const &clash_atoms2)
double	slide_into_contact (core::kinematics::Stub const &xmob, core::kinematics::Stub const &xfix, Vec ori) const

Private Attributes
double	CTD
double	CLD
double	CTD2
double	CLD2
double	BIN
xyzStripeHashPose *	h1_
xyzStripeHashPose *	h2_
utility::vector1< double >	w1_
utility::vector1< double >	w2_

Detailed Description

Definition at line 29 of file SICFast.hh.

Member Typedef Documentation

typedef numeric::xyzVector<platform::Real> protocols::sic_dock::SICFast::Vec

Definition at line 31 of file SICFast.hh.

Constructor & Destructor Documentation

protocols::sic_dock::SICFast::SICFast

(

)

Definition at line 75 of file SICFast.cc.

protocols::sic_dock::SICFast::SICFast

(

core::Real

clash_dis)

Definition at line 67 of file SICFast.cc.

protocols::sic_dock::SICFast::~SICFast ( )

virtual

Definition at line 83 of file SICFast.cc.

References h1_, and h2_.

Member Function Documentation

void protocols::sic_dock::SICFast::init

(

core::pose::Pose const &

pose1)

Definition at line 90 of file SICFast.cc.

Referenced by init(), and protocols::hotspot_hashing::SICPatternAtTransform::SICPatternAtTransform().

void protocols::sic_dock::SICFast::init	(	core::pose::Pose const &	pose1,
		core::pose::Pose const &	pose2
	)

Definition at line 105 of file SICFast.cc.

References core::conformation::Residue::atom_type(), init(), core::pose::initialize_atomid_map(), core::chemical::AtomType::lj_radius(), core::pose::Pose::n_residue(), core::conformation::Residue::name3(), and core::pose::Pose::residue().

void protocols::sic_dock::SICFast::init	(	core::pose::Pose const &	pose1,
		core::id::AtomID_Map< platform::Real > const &	clash_atoms1
	)

Definition at line 97 of file SICFast.cc.

References init().

void protocols::sic_dock::SICFast::init	(	core::pose::Pose const &	pose1,
		core::pose::Pose const &	pose2,
		core::id::AtomID_Map< platform::Real > const &	clash_atoms1,
		core::id::AtomID_Map< platform::Real > const &	clash_atoms2
	)

Definition at line 125 of file SICFast.cc.

References protocols::sic_dock::cb_weights_from_pose(), h1_, h2_, protocols::sic_dock::xyzStripeHashPose::init_with_pose(), w1_, and w2_.

double protocols::sic_dock::SICFast::slide_into_contact	(	core::kinematics::Stub const &	xmob,
		core::kinematics::Stub const &	xfix,
		Vec	ori
	)		const

Definition at line 281 of file SICFast.cc.

References BIN, CLD2, protocols::sic_dock::fill_plane_hash(), protocols::sic_dock::get_bounds_intersection(), protocols::sic_dock::get_mindis_with_plane_hashes(), h1_, h2_, core::kinematics::Stub::local2global(), protocols::sic_dock::refine_mindis_with_xyzHash(), and rot().

Referenced by protocols::hotspot_hashing::SICPatternAtTransform::Searchpoints(), and protocols::sic_dock::slide_into_contact_and_score().

Member Data Documentation

double protocols::sic_dock::SICFast::BIN

private

Definition at line 67 of file SICFast.hh.

Referenced by slide_into_contact().

double protocols::sic_dock::SICFast::CLD

private

Definition at line 67 of file SICFast.hh.

double protocols::sic_dock::SICFast::CLD2

private

Definition at line 67 of file SICFast.hh.

Referenced by slide_into_contact().

double protocols::sic_dock::SICFast::CTD

private

Definition at line 67 of file SICFast.hh.

double protocols::sic_dock::SICFast::CTD2

private

Definition at line 67 of file SICFast.hh.

xyzStripeHashPose* protocols::sic_dock::SICFast::h1_

private

Definition at line 68 of file SICFast.hh.

Referenced by init(), slide_into_contact(), and ~SICFast().

xyzStripeHashPose * protocols::sic_dock::SICFast::h2_

private

Definition at line 68 of file SICFast.hh.

Referenced by init(), slide_into_contact(), and ~SICFast().

utility::vector1<double> protocols::sic_dock::SICFast::w1_

private

Definition at line 69 of file SICFast.hh.

Referenced by init().

utility::vector1<double> protocols::sic_dock::SICFast::w2_

private

Definition at line 69 of file SICFast.hh.

Referenced by init().

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

• src/protocols/sic_dock/SICFast.hh
• src/protocols/sic_dock/SICFast.cc