`jarvis.core.spectrum`¶

Module to process spectrum like data.

Module Contents¶

Classes¶

Module for spectrum like data, e.g. IR, Raman, DOS, epsilon.

class jarvis.core.spectrum.Spectrum(x=[], y=[], linewidth=5.0, resolution=0.1)[source]¶

Bases: object

Module for spectrum like data, e.g. IR, Raman, DOS, epsilon.

property num_modes¶: Get number of modes.

property min_x¶: Get minimum mode frequency.

property max_x¶: Get maximum mode frequency.

rescale(mode='max', scaling_factor=1.0)[source]¶: Rescale the spectrum.

get_peak_indices(window=np.arange(1, 10))[source]¶: Get peak indices for non-zero peaks.

smoothen_spiky_spectrum()[source]¶: Smoothen peak for delta function like peaks.

get_interpolated_values(new_dist=np.arange(0, 15, 0.05))[source]¶: Get interpolated grid on a fixed grid.