T_Tripeptide_loop_closure< Algebraic_Kernel > Class Template Reference

Computes the backbone coordinates of solutions to the Tripeptide loop closure with only phi and psi bond angles changing in internal coordinates. More...

#include <Tripeptide_loop_closure.hpp>

Public Types
typedef CGAL::Gmpfr	NT
typedef T_Tripeptide_constraints< NT >	Tripeptide_constraints
typedef Algebraic_Kernel	AK
typedef T_Tripeptide_constraints_to_polynomial< AK >	Self
typedef AK::Polynomial_1	Polynomial
typedef AK::Algebraic_real_1	Real
typedef CGAL::Point_3< CGAL::Cartesian< NT > >	Point
typedef CGAL::Vector_3< CGAL::Cartesian< NT > >	Vector
typedef std::vector< Real >	Roots
typedef std::vector< std::array< NT, 27 > >	Solutions_embeddings

Modifiers
void	operator() (const Tripeptide_constraints &tlc_constraints, Solutions_embeddings &Coordinates, unsigned verbose=0, std::ostream &out=std::cout)
	Create a polypeptide chain in this protein. More...

Detailed Description

template<class Algebraic_Kernel>
class SBL::CSB::T_Tripeptide_loop_closure< Algebraic_Kernel >

Computes the backbone coordinates of solutions to the Tripeptide loop closure with only phi and psi bond angles changing in internal coordinates.

Computes the backbone coordinates of solutions to the Tripeptide loop closure with only phi and psi bond angles changing in internal coordinates.

Template Parameters

CGAL	Algebraic kernel used to specify the number types on polynomial object type used for the solver

Member Typedef Documentation

AK

typedef Algebraic_Kernel AK

NT

typedef CGAL::Gmpfr NT

Point

typedef CGAL::Point_3<CGAL::Cartesian<NT> > Point

Polynomial

typedef AK::Polynomial_1 Polynomial

Real

typedef AK::Algebraic_real_1 Real

Roots

typedef std::vector<Real> Roots

Self

typedef T_Tripeptide_constraints_to_polynomial<AK> Self

Solutions_embeddings

typedef std::vector<std::array<NT,27> > Solutions_embeddings

Tripeptide_constraints

typedef T_Tripeptide_constraints<NT> Tripeptide_constraints

Vector

typedef CGAL::Vector_3<CGAL::Cartesian<NT> > Vector

Member Function Documentation

operator()()

void operator()	(	const Tripeptide_constraints &	tlc_constraints,
		Solutions_embeddings &	Coordinates,
		unsigned	verbose = 0,
		std::ostream &	out = std::cout
	)

Create a polypeptide chain in this protein.

Parameters

tlc_constraints	constraints in the internal coordinates and anchors of the loop closure
Coordinates	container for the cartesian embedding output
verbose	level for printout
out	printout location