radial_histogram¶
- mdhelper.analysis.structure.radial_histogram(pos1: ndarray[float], pos2: ndarray[float], n_bins: int, range: tuple[float], dims: tuple[float], *, exclusion: tuple[int] = None) ndarray[float][source]¶
Computes the radial histogram of distances between particles of the same type or two different types.
- Parameters:
- pos1numpy.ndarray
\(N_1\) positions or center of masses of particles in the first group.
Shape: \((N_1,\,3)\).
Reference unit: \(\mathrm{Å}\).
- pos2numpy.ndarray
\(N_2\) positions or center of masses of particles in the second group.
Shape: \((N_2,\,3)\).
Reference unit: \(\mathrm{Å}\).
- n_binsint
Number of histogram bins \(N_\mathrm{bins}\).
- rangearray-like
Range of radii values.
Shape: \((2,)\).
Reference unit: \(\mathrm{Å}\).
- dimsarray-like
System dimensions and orthogonality.
Shape: \((6,)\).
Reference unit: \(\mathrm{Å}\) (dimensions), \(^\circ\) (orthogonality).
- exclusionarray-like, keyword-only, optional
Tiles to exclude from the interparticle distances.
Shape: \((2,)\).
Example:
(1, 1)to exclude self-interactions.
- Returns:
- histogramnumpy.ndarray
Radial histogram.
Shape: \((N_\mathrm{bins},)\).