Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
T_Tripeptide_constraints_to_polynomial< Algebraic_Kernel > Class Template Reference

Converts the Tripeptide contraints given to a 16th degree polynomial. More...

#include <Tripeptide_loop_closure.hpp>

Public Types

typedef Algebraic_Kernel AK
 
typedef T_Tripeptide_constraints_to_polynomial< AKself
 
typedef AK::Polynomial_1 Polynomial
 
typedef AK::Algebraic_real_1 Real
 
typedef CGAL::Gmpfr NT
 
typedef Molecular_coordinates_utilities MCU
 
typedef CGAL::Point_3< CGAL::Cartesian< NT > > Point
 
typedef CGAL::Vector_3< CGAL::Cartesian< NT > > Vector
 

Modifiers

void poly_mul1 (NT u1[17], NT u2[17], int p1, int p2, NT(&u3)[17], int &p3)
 
void poly_sub1 (NT u1[17], NT u2[17], int p1, int p2, NT(&u3)[17], int &p3)
 
void poly_mul_sub1 (NT u1[17], NT u2[17], NT u3[17], NT u4[17], int p1, int p2, int p3, int p4, NT(&u5)[17], int &p5)
 
void poly_mul_sub2 (NT u1[5][5], NT u2[5][5], NT u3[5][5], NT u4[5][5], int p1[2], int p2[2], int p3[2], int p4[2], NT(&u5)[5][5], int(&p5)[2])
 
void poly_mul2 (NT u1[5][5], NT u2[5][5], int p1[2], int p2[2], NT(&u3)[5][5], int(&p3)[2])
 
void poly_sub2 (NT u1[5][5], NT u2[5][5], int p1[2], int p2[2], NT(&u3)[5][5], int(&p3)[2])
 
void operator() (const T_Tripeptide_constraints< NT > &tlc_constraints, Polynomial &p_Output, Contants_for_embedding< NT > &Cnsts)
 Create a polypeptide chain in this protein. More...
 

Detailed Description

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

Converts the Tripeptide contraints given to a 16th degree polynomial.

Converts the Tripeptide contraints given to a 16th degree polynomial.

Template Parameters
CGALAlgebraic kernel used to specify the number types on polynomial object type used for the solver

Member Typedef Documentation

◆ AK

typedef Algebraic_Kernel AK

◆ MCU

◆ 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

◆ self

◆ Vector

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

Member Function Documentation

◆ operator()()

void operator() ( const T_Tripeptide_constraints< NT > &  tlc_constraints,
Polynomial p_Output,
Contants_for_embedding< NT > &  Cnsts 
)

Create a polypeptide chain in this protein.

Parameters
tlc_constraintsconstraints in the internal coordinates and anchors of the loop closure
p_OutputAlgebraic polynomial object from CGAL
CnstsConstants used to embedd the solution once the roots of the polynomial are found

◆ poly_mul1()

void poly_mul1 ( NT  u1[17],
NT  u2[17],
int  p1,
int  p2,
NT(&)  u3[17],
int &  p3 
)

◆ poly_mul2()

void poly_mul2 ( NT  u1[5][5],
NT  u2[5][5],
int  p1[2],
int  p2[2],
NT(&)  u3[5][5],
int(&)  p3[2] 
)

◆ poly_mul_sub1()

void poly_mul_sub1 ( NT  u1[17],
NT  u2[17],
NT  u3[17],
NT  u4[17],
int  p1,
int  p2,
int  p3,
int  p4,
NT(&)  u5[17],
int &  p5 
)

◆ poly_mul_sub2()

void poly_mul_sub2 ( NT  u1[5][5],
NT  u2[5][5],
NT  u3[5][5],
NT  u4[5][5],
int  p1[2],
int  p2[2],
int  p3[2],
int  p4[2],
NT(&)  u5[5][5],
int(&)  p5[2] 
)

◆ poly_sub1()

void poly_sub1 ( NT  u1[17],
NT  u2[17],
int  p1,
int  p2,
NT(&)  u3[17],
int &  p3 
)

◆ poly_sub2()

void poly_sub2 ( NT  u1[5][5],
NT  u2[5][5],
int  p1[2],
int  p2[2],
NT(&)  u3[5][5],
int(&)  p3[2] 
)