kinematic_closure¶

radians

Bindings for numeric::kinematic_closure namespace

pyrosetta.rosetta.numeric.kinematic_closure.bondangle(a: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t, b: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t, c: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t) → float¶: C++: numeric::kinematic_closure::bondangle(const class utility::fixedsizearray1<double, 3> &, const class utility::fixedsizearray1<double, 3> &, const class utility::fixedsizearray1<double, 3> &) –> double

pyrosetta.rosetta.numeric.kinematic_closure.bridgeObjects(atoms: pyrosetta.rosetta.utility.vector1_utility_fixedsizearray1_double_3_t, dt: pyrosetta.rosetta.utility.vector1_double, da: pyrosetta.rosetta.utility.vector1_double, db: pyrosetta.rosetta.utility.vector1_double, pivots: pyrosetta.rosetta.utility.vector1_int, order: pyrosetta.rosetta.utility.vector1_int, t_ang: pyrosetta.rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, b_ang: pyrosetta.rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, b_len: pyrosetta.rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, nsol: int) → None¶: C++: numeric::kinematic_closure::bridgeObjects(const class utility::vector1<class utility::fixedsizearray1<double, 3>, class std::allocator<class utility::fixedsizearray1<double, 3> > > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<int, class std::allocator<int> > &, const class utility::vector1<int, class std::allocator<int> > &, class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > &, class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > &, class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > &, int &) –> void

pyrosetta.rosetta.numeric.kinematic_closure.bridgeObjects_nonredundant(stub1: pyrosetta.rosetta.utility.vector1_utility_fixedsizearray1_double_3_t, stub2: pyrosetta.rosetta.utility.vector1_utility_fixedsizearray1_double_3_t, torsions_chain1: pyrosetta.rosetta.utility.vector1_double, torsions_chain2: pyrosetta.rosetta.utility.vector1_double, angles: pyrosetta.rosetta.utility.vector1_double, bonds: pyrosetta.rosetta.utility.vector1_double, pivot_torsions: pyrosetta.rosetta.utility.vector1_utility_vector1_double_std_allocator_double_t, nsol: int) → None¶

Nonredundant version of the bridgeObject function

stub1 are the coordinates of the first pivot and 2 atoms preceeding it; stub2 are the coordinates of the third pivot and 2 atoms after it; torsions_chain1 are the torsions from pivot1 to pivot2, which has a length of (pivot2 - pivot1 - 2); torsions_chain2 are the torsions from pivot2 to pivot3, which has a length of (pivot3 - pivot2 - 2); angles are the bond angles from pivot1 to pivot3, which has a length of (pivot3 - pivot1 + 1); bonds are the bond lengths from pivot1 to pivot3, which has a length of (pivot3 - pivot1); pivot_torsions are the solutions of pivot tosions whose dimension is nsol * 6 where nsol is the number of solutions.

C++: numeric::kinematic_closure::bridgeObjects_nonredundant(const class utility::vector1<class utility::fixedsizearray1<double, 3>, class std::allocator<class utility::fixedsizearray1<double, 3> > > &, const class utility::vector1<class utility::fixedsizearray1<double, 3>, class std::allocator<class utility::fixedsizearray1<double, 3> > > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > &, int &) –> void

pyrosetta.rosetta.numeric.kinematic_closure.buildsturm(ord: int, sseq: pyrosetta.rosetta.numeric.kinematic_closure.p) → int¶: C++: numeric::kinematic_closure::buildsturm(int, struct numeric::kinematic_closure::p *) –> int

pyrosetta.rosetta.numeric.kinematic_closure.chainXYZ(n: int, b_len: pyrosetta.rosetta.utility.vector1_double, b_ang: pyrosetta.rosetta.utility.vector1_double, t_ang: pyrosetta.rosetta.utility.vector1_double, atoms: pyrosetta.rosetta.utility.vector1_utility_fixedsizearray1_double_3_t) → None¶: C++: numeric::kinematic_closure::chainXYZ(const int &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<class utility::fixedsizearray1<double, 3>, class std::allocator<class utility::fixedsizearray1<double, 3> > > &) –> void

pyrosetta.rosetta.numeric.kinematic_closure.cross(a: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t, b: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_3_t¶: C++: numeric::kinematic_closure::cross(const class utility::fixedsizearray1<double, 3> &, const class utility::fixedsizearray1<double, 3> &) –> class utility::fixedsizearray1<double, 3>

pyrosetta.rosetta.numeric.kinematic_closure.dot(a: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t, b: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t) → float¶: C++: numeric::kinematic_closure::dot(const class utility::fixedsizearray1<double, 3> &, const class utility::fixedsizearray1<double, 3> &) –> double

pyrosetta.rosetta.numeric.kinematic_closure.evalpoly(ord: int, coef: float, x: float) → float¶: C++: numeric::kinematic_closure::evalpoly(int, double *, double) –> double

pyrosetta.rosetta.numeric.kinematic_closure.hyper_tan(a: float, x: float) → float¶: C++: numeric::kinematic_closure::hyper_tan(double, double) –> double

pyrosetta.rosetta.numeric.kinematic_closure.initialize_sturm(tol_secant: float, max_iter_sturm: int, max_iter_secant: int) → None¶: C++: numeric::kinematic_closure::initialize_sturm(double *, int *, int *) –> void

pyrosetta.rosetta.numeric.kinematic_closure.modp(u: pyrosetta.rosetta.numeric.kinematic_closure.p, v: pyrosetta.rosetta.numeric.kinematic_closure.p, r: pyrosetta.rosetta.numeric.kinematic_closure.p) → int¶: C++: numeric::kinematic_closure::modp(struct numeric::kinematic_closure::p *, struct numeric::kinematic_closure::p *, struct numeric::kinematic_closure::p *) –> int

pyrosetta.rosetta.numeric.kinematic_closure.modrf(ord: int, coef: float, a: float, b: float, val: float) → int¶: C++: numeric::kinematic_closure::modrf(int, double *, double, double, double *) –> int

pyrosetta.rosetta.numeric.kinematic_closure.norm(a: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t) → pyrosetta.rosetta.utility.fixedsizearray1_double_3_t¶: C++: numeric::kinematic_closure::norm(const class utility::fixedsizearray1<double, 3> &) –> class utility::fixedsizearray1<double, 3>

pyrosetta.rosetta.numeric.kinematic_closure.numchanges(np: int, sseq: pyrosetta.rosetta.numeric.kinematic_closure.p, a: float) → int¶: C++: numeric::kinematic_closure::numchanges(int, struct numeric::kinematic_closure::p *, double) –> int

pyrosetta.rosetta.numeric.kinematic_closure.numroots(np: int, sseq: pyrosetta.rosetta.numeric.kinematic_closure.p, atneg: int, atpos: int) → int¶: C++: numeric::kinematic_closure::numroots(int, struct numeric::kinematic_closure::p *, int *, int *) –> int

class pyrosetta.rosetta.numeric.kinematic_closure.p¶

Bases: pybind11_object

property ord¶

pyrosetta.rosetta.numeric.kinematic_closure.sbisect(np: int, sseq: pyrosetta.rosetta.numeric.kinematic_closure.p, min: float, max: float, atmin: int, atmax: int, roots: float) → None¶: C++: numeric::kinematic_closure::sbisect(int, struct numeric::kinematic_closure::p *, double, double, int, int, double *) –> void

pyrosetta.rosetta.numeric.kinematic_closure.solve_sturm(p_order: int, n_root: int, poly_coeffs: pyrosetta.rosetta.utility.vector1_double, roots: pyrosetta.rosetta.utility.vector1_double) → None¶: C++: numeric::kinematic_closure::solve_sturm(const int &, int &, const class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void

pyrosetta.rosetta.numeric.kinematic_closure.torsion(a: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t, b: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t, c: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t, d: pyrosetta.rosetta.utility.fixedsizearray1_double_3_t) → float¶: C++: numeric::kinematic_closure::torsion(const class utility::fixedsizearray1<double, 3> &, const class utility::fixedsizearray1<double, 3> &, const class utility::fixedsizearray1<double, 3> &, const class utility::fixedsizearray1<double, 3> &) –> double

pyrosetta.rosetta.numeric.kinematic_closure.vectorsEqual(A: pyrosetta.rosetta.utility.vector1_double, B: pyrosetta.rosetta.utility.vector1_double) → bool¶: C++: numeric::kinematic_closure::vectorsEqual(const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &) –> bool