pyqmmm.md.restraint_plotter

Creates a series of KDE plots based on HYSCORE-guided simulations

Functions

collect_xyz_data(filenames)	Retrieves the x and y data from the files.
combine_inp()	Combines a CPPTRAJ output file with angles and another with distances.
compare_patch_limits(x_data, y_data, ...)	Checks all the data sets and decides what the x and y bounds should be.
config()	Parses the config file for the users parameters.
get_plot_limits(x_data, y_data, plot_params)
get_xy_data(filename)	Takes a combined file and destructures it into arrays.
graph_datasets(x_data, y_data, z_data, ...)
restraint_plots()