readModelFile()
Description
readModelFile() is a function used to open a .lpm model file and extract its content. The content will be returned in variables, but can also be output in the Terminal.
Argument, keywords and outputs
Input(s) / Argument(s)
| Name | Flag | Type | Description |
|---|---|---|---|
| Model file | str | Relative path to the model file to load and read. | |
| Training sets | train_sets= | bool | (Opt.) Load the training sets (arrays) from the file too. Default is False. |
| Display | display= | bool | (Opt.) Load the training sets (arrays) from the file too. Default is False. |
Output(s)
| Name | Type | Description |
|---|---|---|
| Metadata | dict | Metadata used and collected during the training. |
| Coordinates | np.ndarray | (Opt.) Array of the coordinates of the atoms of the molecules. Dimension(s) are in (n_frames, n_molecules, n_atoms_per_molecule, 2). Is only returned if train_sets= is set to True. |
| Distances | np.ndarray | (Opt.) Array of the distances of the atoms of the molecules. Dimension(s) are in (n_frames, n_molecules, n_distances). Is only returned if train_sets= is set to True. |
| Phases | np.ndarray | (Opt.) Array of all the molecule phases labeled in the system. Dimension(s) are in (n_frames, n_molecules). Is only returned if train_sets= is set to True. |
Examples
Extract the metadata of a file
The following example will open the file test_model.lpm and return the metadata defined inside it into the dictionary metadata_dict.
import mllpa
metadata_dict = mllpa.readModelFile('test_model.lpm')
Extract the metadata and training sets from a file
The following example will open the file test_model.lpm and return the metadata defined inside it into the dictionary metadata_dict, as well as the coordinates, distances and phases array used to train the model.
metadata_dict, coordinates, distances, phases = mllpa.readModelFile('test_model.lpm', train_sets=True)
Extract and display the metadata from a file
The following example will open the file test_model.lpm and display the metadata in the Terminal.
mllpa.readModelFile('test_model.lpm', display=True)
Related tutorials
The following tutorial(s) detail further the use of the readModelFile() function: