How to use the pyscal.csystem.System function in pyscal

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github srmnitc / pyscal / src / pyscal / core.py View on Github external
Returns
    -------
    works : bool
        True if the module works and could create a System and Atom object
        False otherwise.

    """
    try:
        s = System()
        a = Atom()
        return True
    except:
        return False

class System(pc.System):
    """
    A python/pybind11 hybrid class for holding the properties of a system.

    Attributes
    ----------
    box : list of list of floats
        A list containing the dimensions of the simulation box in the format
        `[[x_low, x_high], [y_low, y_high], [z_low, z_high]]`

    atoms : list of :class:`~pyscal.catom.Atom` objects

    Notes
    -----
    A `System` consists of two
    major components - the simulation box and the atoms. All the associated variables
    are then calculated using this class.