shnitsel.plot.Datasheet

class Datasheet(frames=None, *, path=None, copy_data=None, spectra_times=None, col_state=None, col_inter=None)

Parameters:

• frames (Dataset | None)

• path (str | None)

• copy_data (Self | None)

• spectra_times (list[int | float] | ndarray | None)

• col_state (list | None)

• col_inter (list | None)

__init__(frames=None, *, path=None, copy_data=None, spectra_times=None, col_state=None, col_inter=None)

Parameters:

• frames (Dataset | None)

• path (str | None)

• copy_data (Self | None)

• spectra_times (list[int | float] | ndarray | None)

• col_state (list | None)

• col_inter (list | None)

Methods

__init__([frames, path, copy_data, ...])
calc_all()
get_subfigures([include_per_state_hist, borders])
plot([include_per_state_hist, borders, ...])
plot_nacs_histograms([fig])
plot_noodle([fig])
plot_per_state_histograms([fig])
plot_separated_spectra_and_hists([fig])
plot_separated_spectra_and_hists_groundstate([...])
plot_structure([fig])
plot_timeplots([fig])

Attributes

charge
delta_E
fosc_time
hops
inchi
inter_state
mol
mol_skeletal
name
noodle
per_state
pops
smiles
spectra
spectra_excited
spectra_ground
spectra_groups
structure_atXYZ
structure_skeletal
spectra_times