protocols::sic_dock::SICFast Class Reference

#include <SICFast.hh>

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 (Xform const &xmob, Xform const &xfix, Vec ori) const
double	slide_into_contact (Xforms const &xmob, Xforms const &xfix, Vec ori) const
double	slide_into_contact_DEPRICATED (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_

Member Typedef Documentation

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

Constructor & Destructor Documentation

protocols::sic_dock::SICFast::SICFast

(

)

References clash_dis, hash_2D_vs_3D, option, options, and sicdock.

protocols::sic_dock::SICFast::SICFast

(

core::Real

clash_dis

)

References hash_2D_vs_3D, option, options, and sicdock.

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

virtual

References h1_, and h2_.

Member Function Documentation

void protocols::sic_dock::SICFast::init

(

core::pose::Pose const &

pose1

)

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
	)

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
	)

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
	)

References CLD, h1_, and h2_.

double protocols::sic_dock::SICFast::slide_into_contact	(	Xform const &	xmob,
		Xform const &	xfix,
		Vec	ori
	)		const

References numeric::geometry::hashing::xyzStripeHash::begin(), BIN, CLD2, numeric::geometry::hashing::xyzStripeHash::end(), protocols::sic_dock::fill_plane_hash(), protocols::sic_dock::get_bounds_intersection(), protocols::sic_dock::get_mindis_with_plane_hashes(), h1_, h2_, numeric::geometry::hashing::xyzStripeHash::natom(), numeric::xyzVector< class >::normalize(), protocols::sic_dock::refine_mindis_with_xyzHash(), rot(), rotation_matrix_degrees(), numeric::geometry::hashing::xyzStripeHash::translation(), and numeric::xyzVector< class >::z().

Referenced by slide_into_contact(), protocols::sic_dock::slide_into_contact_and_score(), and slide_into_contact_DEPRICATED().

double protocols::sic_dock::SICFast::slide_into_contact	(	Xforms const &	xmob,
		Xforms const &	xfix,
		Vec	ori
	)		const

References max(), slide_into_contact(), and t.

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

References core::kinematics::Stub::M, slide_into_contact(), and core::kinematics::Stub::v.

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

Member Data Documentation

double protocols::sic_dock::SICFast::BIN

private

Referenced by slide_into_contact().

double protocols::sic_dock::SICFast::CLD

private

Referenced by init().

double protocols::sic_dock::SICFast::CLD2

private

Referenced by slide_into_contact().

double protocols::sic_dock::SICFast::CTD

private

double protocols::sic_dock::SICFast::CTD2

private

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

private

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

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

private

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

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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