tfep.utils.plumed.plot.plot_trajectory

tfep.utils.plumed.plot.plot_trajectory(data, col_names=None, time_unit=None, stride=1, axes=None, plot_kwargs=None)[source]

Plot the trajectory of all the given columns in time.

Parameters:

  • data (Dict[str, numpy.ndarray]) – The named columns of the PLUMED output file. For the expected format, see plumedwrapper.io.read_columns. There must be a ‘time’ column in the data.

  • col_names (str or List[str], optional) – A single name or a list of the column names to plot. If not given, all columns are plotted.

  • time_unit (str, optional) – The unit of time (e.g., ‘ps’, or ‘ns’) of the time dimension used for plotting.

  • stride (int, optional) – Only data points every stride entries are plotted. Default is 1.

  • axes (matplotlib.pyplot.Axes, optional) – Optionally, an existing Axes object can be passed, otherwise this function will create a new figure.

  • plot_kwargs (Dict, optional) – Other keyword arguments to pass to matplotlib.pyplot.plot.

Returns:

axes – The Axes object use for plotting.

Return type:

matplotlib.pyplot.Axes