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

Converts polynomial roots to embeddings using values defined in T_Tripeptide_constraints_to_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
 
typedef std::vector< RealRoots
 
typedef std::vector< std::array< NT, 27 > > Solutions_embeddings
 

Modifiers

void quaternion (Vector axis, NT quarter_ang, NT(&Quaternion)[4])
 
void rotation_matrix (NT Quaternion[4], NT(&Rotation)[3][3])
 
void matmul (NT ma[3][3], Vector mb, Vector &mc)
 
NT calc_t1 (NT t0, NT t2, NT C0[3][3], NT C1[3][3], NT C2[3][3])
 
NT calc_t2 (NT t0, NT Q[5][17], NT R[3][17])
 
void operator() (const T_Tripeptide_anchors< NT > Anchors, Contants_for_embedding< NT > &Cnsts, Roots &rts, Solutions_embeddings &Coordinates)
 Anchors sovler interface of CGAL. More...
 

Detailed Description

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

Converts polynomial roots to embeddings using values defined in T_Tripeptide_constraints_to_polynomial.

Converts polynomial roots to embeddings using values defined in T_Tripeptide_constraints_to_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

◆ Roots

typedef std::vector<Real> Roots

◆ self

◆ Solutions_embeddings

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

◆ Vector

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

Member Function Documentation

◆ calc_t1()

T_TLC_polynomial_roots_to_embedings< Algebraic_Kernel >::NT calc_t1 ( NT  t0,
NT  t2,
NT  C0[3][3],
NT  C1[3][3],
NT  C2[3][3] 
)

◆ calc_t2()

T_TLC_polynomial_roots_to_embedings< Algebraic_Kernel >::NT calc_t2 ( NT  t0,
NT  Q[5][17],
NT  R[3][17] 
)

◆ matmul()

void matmul ( NT  ma[3][3],
Vector  mb,
Vector mc 
)

◆ operator()()

void operator() ( const T_Tripeptide_anchors< NT Anchors,
Contants_for_embedding< NT > &  Cnsts,
Roots rts,
Solutions_embeddings Coordinates 
)

Anchors sovler interface of CGAL.

Template Parameters
NumberType
Parameters
AnchorsTripeptide anchors
CnstsConstants used to embedd the solution
rtsRoots container to be turned into embeddings
Coordinatescontainer for the cartesian embedding output

◆ quaternion()

void quaternion ( Vector  axis,
NT  quarter_ang,
NT(&)  Quaternion[4] 
)

◆ rotation_matrix()

void rotation_matrix ( NT  Quaternion[4],
NT(&)  Rotation[3][3] 
)