radial_fourier_transform

mdhelper.analysis.structure.radial_fourier_transform(r: ndarray[float], f: ndarray[float], q: ndarray[float]) → ndarray[float]

Computes the radial Fourier transform \(\hat{f}(q)\) of discrete data \(f(r)\).

\[\hat{f}(q)=\frac{4\pi}{q}\int_0^\infty f(r)r\sin(qr)\,dr\]

Parameters:

rnumpy.ndarray

Radii \(r\).

Reference unit: \(\mathrm{Å}\).

fnumpy.ndarray

Discrete data \(f(r)\) to Fourier transform.

Shape: Same as r.

qnumpy.ndarray

Wavenumbers \(q\) to evaluate the Fourier transforms at.

Reference unit: \(\mathrm{Å}^{-1}\).

Returns:

rftnumpy.ndarray

Radial Fourier transform of the discrete data.

Shape: Same as q.