spline

Bindings for numeric::interpolation::spline namespace

pyrosetta.rosetta.numeric.interpolation.spline.get_PolycubicSpline_F(splinebase: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase, coords: pyrosetta.rosetta.utility.vector1_double) → float

Given a PolycubicSplineBase and a set of coordinates, call PolycubicSpline<N>::F and return the value.

Convenience function to hide the switch/case logic. Only works for PolycubicSplines of dimensionality 3 through 9.

Vikram K. Mulligan (vmullig.edu).

C++: numeric::interpolation::spline::get_PolycubicSpline_F(class std::shared_ptr<const class numeric::interpolation::spline::PolycubicSplineBase>, const class utility::vector1<double, class std::allocator<double> > &) –> double

pyrosetta.rosetta.numeric.interpolation.spline.get_PolycubicSpline_gradient(splinebase: pyrosetta.rosetta.numeric.interpolation.spline.PolycubicSplineBase, coords: pyrosetta.rosetta.utility.vector1_double, gradient_out: pyrosetta.rosetta.utility.vector1_double) → None

Given a PolycubicSplineBase and a set of coordinates, call PolycubicSpline<N>::dFdall and return the value.

Convenience function to hide the switch/case logic. Only works for PolycubicSplines of dimensionality 3 through 9.

Vikram K. Mulligan (vmullig.edu).

C++: numeric::interpolation::spline::get_PolycubicSpline_gradient(class std::shared_ptr<const class numeric::interpolation::spline::PolycubicSplineBase>, const class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void

pyrosetta.rosetta.numeric.interpolation.spline.hokey_template_workaround() → None

Dummy function, never to be called. This is only here to ensure that the compiler creates

PolycubicSpline<3> through PolycubicSpline<9> classes.

C++: numeric::interpolation::spline::hokey_template_workaround() –> void

pyrosetta.rosetta.numeric.interpolation.spline.spline_interpolate(xa: pyrosetta.rosetta.utility.vector1_double, ya: pyrosetta.rosetta.utility.vector1_double, y2a: pyrosetta.rosetta.utility.vector1_double, x: float, y: float, dy: float) → None

C++: numeric::interpolation::spline::spline_interpolate(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> > &, double, double &, double &) –> void

pyrosetta.rosetta.numeric.interpolation.spline.spline_second_derivative(x: pyrosetta.rosetta.utility.vector1_double, y: pyrosetta.rosetta.utility.vector1_double, yp1: float, ypn: float) → pyrosetta.rosetta.utility.vector1_double

C++: numeric::interpolation::spline::spline_second_derivative(const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, double, double) –> class utility::vector1<double, class std::allocator<double> >

pyrosetta.rosetta.numeric.interpolation.spline.sqr(x: float) → float

C++: numeric::interpolation::spline::sqr(double) –> double