protocols::surface_docking::SurfaceParameters Class Reference

#include <SurfaceParameters.hh>

Inheritance diagram for protocols::surface_docking::SurfaceParameters:

Collaboration diagram for protocols::surface_docking::SurfaceParameters:

Public Member Functions
	SurfaceParameters ()
	default constructor to initialize all values More...
	SurfaceParameters (std::string strSURFA0, std::string strSURFA1, std::string strSURFA2)
	SurfaceParameters (SurfaceParameters const &src)
basic::datacache::CacheableDataOP	clone () const
void	GenerateSurfaceParameters (Vector SurfCG)
Vector	CalcNormalVector (Vector Apoint, Vector Bpoint, Vector Cpoint)
Vector	CalcAxisIntersect (Vector point1, Vector point2, Vector Bvector, Vector Cvector)
Plane	GeneratePlane (Vector Apoint, Vector Bpoint, Vector Cpoint)
Vector	PlanePointIntersection (Plane plane_abcd, Vector point_outofplane, Vector normal_plane)
Vector	PlanePointIntersection (Vector Point)
Vector	SplitSurfaceVectorString (std::string surfVectString)

Public Attributes
Vector	SURFA0
Vector	SURFA1
Vector	SURFA2
std::string	strSURFA0
std::string	strSURFA1
std::string	strSURFA2
Vector	A
Vector	B
Vector	C
Vector	vecAB
Vector	vecAC
Vector	SurfaceCG
Vector	surfaceNormalVec
Vector	unitsurfaceNormalVec
Vector	surfaceAntiNormalVec
Plane	surfacePlane
Vector	slideaxis

Constructor & Destructor Documentation

protocols::surface_docking::SurfaceParameters::SurfaceParameters

(

)

default constructor to initialize all values

protocols::surface_docking::SurfaceParameters::SurfaceParameters	(	std::string	strSURFA0,
		std::string	strSURFA1,
		std::string	strSURFA2
	)

References protocols::TR().

protocols::surface_docking::SurfaceParameters::SurfaceParameters

(

SurfaceParameters const &

src)

References A, B, C, slideaxis, strSURFA0, strSURFA1, strSURFA2, SURFA0, SURFA1, SURFA2, surfaceAntiNormalVec, SurfaceCG, surfaceNormalVec, surfacePlane, unitsurfaceNormalVec, vecAB, and vecAC.

Member Function Documentation

Vector protocols::surface_docking::SurfaceParameters::CalcAxisIntersect	(	Vector	point1,
		Vector	point2,
		Vector	Bvector,
		Vector	Cvector
	)

References protocols::frag_picker::CB, and core::scoring::hbonds::t().

Referenced by protocols::surface_docking::SurfaceOrientMover::apply().

Vector protocols::surface_docking::SurfaceParameters::CalcNormalVector	(	Vector	Apoint,
		Vector	Bpoint,
		Vector	Cpoint
	)

Referenced by GenerateSurfaceParameters().

basic::datacache::CacheableDataOP protocols::surface_docking::SurfaceParameters::clone ( ) const

inline

Plane protocols::surface_docking::SurfaceParameters::GeneratePlane	(	Vector	Apoint,
		Vector	Bpoint,
		Vector	Cpoint
	)

Referenced by GenerateSurfaceParameters().

void protocols::surface_docking::SurfaceParameters::GenerateSurfaceParameters

(

Vector

SurfCG)

References A, B, C, CalcNormalVector(), GeneratePlane(), SURFA0, SURFA1, SURFA2, surfaceAntiNormalVec, SurfaceCG, surfaceNormalVec, surfacePlane, protocols::TR(), unitsurfaceNormalVec, vecAB, and vecAC.

Referenced by protocols::surface_docking::SurfaceOrientMover::apply().

Vector protocols::surface_docking::SurfaceParameters::PlanePointIntersection	(	Plane	plane_abcd,
		Vector	point_outofplane,
		Vector	normal_plane
	)

References core::scoring::hbonds::t().

Referenced by protocols::surface_docking::SurfaceOrientMover::apply(), and PlanePointIntersection().

Vector protocols::surface_docking::SurfaceParameters::PlanePointIntersection

(

Vector

Point)

References PlanePointIntersection(), surfaceAntiNormalVec, and surfacePlane.

Vector protocols::surface_docking::SurfaceParameters::SplitSurfaceVectorString

(

std::string

surfVectString)

Member Data Documentation

Vector protocols::surface_docking::SurfaceParameters::A

Referenced by protocols::surface_docking::SurfaceOrientMover::apply(), GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::B

Referenced by protocols::surface_docking::SurfaceOrientMover::apply(), GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::C

Referenced by protocols::surface_docking::SurfaceOrientMover::apply(), GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::slideaxis

Referenced by protocols::surface_docking::SurfaceOrientMover::apply(), and SurfaceParameters().

std::string protocols::surface_docking::SurfaceParameters::strSURFA0

Referenced by SurfaceParameters().

std::string protocols::surface_docking::SurfaceParameters::strSURFA1

Referenced by SurfaceParameters().

std::string protocols::surface_docking::SurfaceParameters::strSURFA2

Referenced by SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::SURFA0

Referenced by GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::SURFA1

Referenced by GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::SURFA2

Referenced by GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::surfaceAntiNormalVec

Referenced by GenerateSurfaceParameters(), PlanePointIntersection(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::SurfaceCG

Referenced by GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::surfaceNormalVec

Referenced by GenerateSurfaceParameters(), and SurfaceParameters().

Plane protocols::surface_docking::SurfaceParameters::surfacePlane

Referenced by protocols::surface_docking::SurfaceOrientMover::apply(), GenerateSurfaceParameters(), PlanePointIntersection(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::unitsurfaceNormalVec

Referenced by protocols::surface_docking::SurfaceOrientMover::apply(), GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::vecAB

Referenced by protocols::surface_docking::SurfaceOrientMover::apply(), GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::vecAC

Referenced by protocols::surface_docking::SurfaceOrientMover::apply(), GenerateSurfaceParameters(), and SurfaceParameters().

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

• src/protocols/surface_docking/SurfaceParameters.hh
• src/protocols/surface_docking/SurfaceParameters.cc