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

Detailed Description

Definition at line 57 of file SurfaceParameters.hh.

Constructor & Destructor Documentation

protocols::surface_docking::SurfaceParameters::SurfaceParameters

(

)

default constructor to initialize all values

Definition at line 47 of file SurfaceParameters.cc.

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

Definition at line 57 of file SurfaceParameters.cc.

References protocols::TR().

protocols::surface_docking::SurfaceParameters::SurfaceParameters

(

SurfaceParameters const &

src)

Definition at line 70 of file SurfaceParameters.cc.

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
	)

Definition at line 127 of file SurfaceParameters.cc.

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
	)

Definition at line 143 of file SurfaceParameters.cc.

Referenced by GenerateSurfaceParameters().

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

inline

Definition at line 75 of file SurfaceParameters.hh.

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

Definition at line 155 of file SurfaceParameters.cc.

Referenced by GenerateSurfaceParameters().

void protocols::surface_docking::SurfaceParameters::GenerateSurfaceParameters

(

Vector

SurfCG)

Definition at line 97 of file SurfaceParameters.cc.

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
	)

Definition at line 174 of file SurfaceParameters.cc.

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

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

Vector protocols::surface_docking::SurfaceParameters::PlanePointIntersection

(

Vector

Point)

Definition at line 169 of file SurfaceParameters.cc.

References PlanePointIntersection(), surfaceAntiNormalVec, and surfacePlane.

Vector protocols::surface_docking::SurfaceParameters::SplitSurfaceVectorString

(

std::string

surfVectString)

Definition at line 188 of file SurfaceParameters.cc.

Member Data Documentation

Vector protocols::surface_docking::SurfaceParameters::A

Definition at line 112 of file SurfaceParameters.hh.

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

Vector protocols::surface_docking::SurfaceParameters::B

Definition at line 112 of file SurfaceParameters.hh.

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

Vector protocols::surface_docking::SurfaceParameters::C

Definition at line 112 of file SurfaceParameters.hh.

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

Vector protocols::surface_docking::SurfaceParameters::slideaxis

Definition at line 125 of file SurfaceParameters.hh.

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

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

Definition at line 107 of file SurfaceParameters.hh.

Referenced by SurfaceParameters().

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

Definition at line 108 of file SurfaceParameters.hh.

Referenced by SurfaceParameters().

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

Definition at line 109 of file SurfaceParameters.hh.

Referenced by SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::SURFA0

Definition at line 102 of file SurfaceParameters.hh.

Referenced by GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::SURFA1

Definition at line 103 of file SurfaceParameters.hh.

Referenced by GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::SURFA2

Definition at line 104 of file SurfaceParameters.hh.

Referenced by GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::surfaceAntiNormalVec

Definition at line 121 of file SurfaceParameters.hh.

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

Vector protocols::surface_docking::SurfaceParameters::SurfaceCG

Definition at line 116 of file SurfaceParameters.hh.

Referenced by GenerateSurfaceParameters(), and SurfaceParameters().

Vector protocols::surface_docking::SurfaceParameters::surfaceNormalVec

Definition at line 119 of file SurfaceParameters.hh.

Referenced by GenerateSurfaceParameters(), and SurfaceParameters().

Plane protocols::surface_docking::SurfaceParameters::surfacePlane

Definition at line 122 of file SurfaceParameters.hh.

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

Vector protocols::surface_docking::SurfaceParameters::unitsurfaceNormalVec

Definition at line 120 of file SurfaceParameters.hh.

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

Vector protocols::surface_docking::SurfaceParameters::vecAB

Definition at line 114 of file SurfaceParameters.hh.

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

Vector protocols::surface_docking::SurfaceParameters::vecAC

Definition at line 114 of file SurfaceParameters.hh.

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