msmbuilder.io.load_trajs

msmbuilder.io.load_trajs(fn, meta='meta.pandas.pickl', key_to_path=None)

Load trajectory-like data

Data is expected to be stored as if saved by save_trajs.

This method finds trajectories based on the meta dataframe. If you remove a file (trajectory) from disk, be sure to remove its row from the dataframe. If you remove a row from the dataframe, be aware that that trajectory (file) will not be loaded, even if it exists on disk.

Parameters:

fn : str

Where the data is saved. This should be a directory containing one file per trajectory.

meta : pd.DataFrame or str

The DataFrame of metadata. If this is a string, it is interpreted as a filename and the dataframe is loaded from disk.

Returns:

meta : pd.DataFrame

The DataFrame of metadata. If you passed in a string (filename) to the meta input, this will be the loaded DataFrame. If you gave a DataFrame object, this will just be a reference back to that object

trajs : dict

Dictionary of trajectory-like np.ndarray’s keyed on the values of meta.index.