plot_discrete_pos_trj

Plot in which discrete position bin a compounds resides as function of time.

Todo

Finish docstring

This script is designed to plot the output of scripts.discretization.discrete_pos.

Options

-f

Input filename. The output file of scripts.discretization.discrete_pos containing the discrete trajectory.

--bins

Optional second input file. The output file of scripts.discretization.discrete_pos containing the bin edges that were used to generate the discrete trajectory. If provided, the bins will be shown on a secondary y-axis.

-o

Output filename.

-t

Space separated list of indices of compounds for which to plot the discrete trajectory. Indexing starts at zero. Negative indices are counted backwards. By default, the trajectories of all compounds are plotted.

--ylabel

Label for the secondary y-axis. Is meaningless if --bins is not given. Default: r"$z$ / A".

--decs

Number of decimal places for the tick labels of the secondary y-axis. Is meaningless if --bins is not given. Default: 1.

Examples

TODO