![]() |
Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
|
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< AK > | self |
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< Real > | Roots |
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... | |
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.
CGAL | Algebraic kernel used to specify the number types on polynomial object type used for the solver |
typedef Algebraic_Kernel AK |
typedef Molecular_coordinates_utilities MCU |
typedef CGAL::Gmpfr NT |
typedef AK::Polynomial_1 Polynomial |
typedef AK::Algebraic_real_1 Real |
typedef T_Tripeptide_constraints_to_polynomial<AK> self |
typedef std::vector<std::array<NT,27> > Solutions_embeddings |
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] | ||
) |
T_TLC_polynomial_roots_to_embedings< Algebraic_Kernel >::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.
Number | Type |
Anchors | Tripeptide anchors |
Cnsts | Constants used to embedd the solution |
rts | Roots container to be turned into embeddings |
Coordinates | container for the cartesian embedding output |