コード例 #1
0
def dict(
    simulator: Simulator,
    signal_processors: list = None,
    params: Parameters = None,
    with_units: bool = True,
):
    """Export the Simulator, list of SignalProcessor, and lmfit Parameters objects
    to a python dictionary.

    Args:
        sim: Simulator object.
        signal_processors: A list of PostSimulator objects corresponding to the methods
            in the Simulator object. Default is None.
        params: lmfit Parameters object. Default is None.
        bool with_units: If true, physical quantities are represented as string with
            units. The default is True.

    Return:
        Python dictionary
    """
    py_dict = simulator.json(units=with_units)
    if signal_processors is not None:
        py_dict["signal_processors"] = [
            item.json() for item in signal_processors
        ]

    py_dict["params"] = None if params is None else params.dumps()

    return py_dict
コード例 #2
0
def simulate_spectrum():
    """Create a new mrsimulator file from params. The new file then undergoes a
    fresh simulation"""

    print("The Simulate Spectrum button has been clicked")
    mrsim_data = ctx.states["local-mrsim-data.data"]
    params_data = ctx.states["params-data.data"]

    if mrsim_data is None:
        raise PreventUpdate

    if len(mrsim_data["methods"]) == 0 or len(mrsim_data["spin_systems"]) == 0:
        raise PreventUpdate

    sim, processor, saved_params = mrsim.parse(mrsim_data)
    params = Parameters().loads(params_data)

    sf.update_mrsim_obj_from_params(params, sim, processor)
    new_mrsim_data = mrsim.dict(sim, processor, saved_params)
    new_mrsim_data["params"] = params.dumps()

    out = {
        "alert": ["", False],
        "mrsim": [new_mrsim_data, no_update],
        "children": [no_update, no_update, no_update],
        "mrsim_config": [no_update, no_update, no_update, no_update],
        "processor": [no_update],
    }
    return sim_utils.expand_output(out)
コード例 #3
0
    def test_dumps_loads_parameters(self):
        # test that we can dumps() and then loads() a Parameters
        pars = Parameters()
        pars.add('x', value=1.0)
        pars.add('y', value=2.0)
        pars['x'].expr = 'y / 2.0'

        dumps = pars.dumps()

        newpars = Parameters().loads(dumps)
        newpars['y'].value = 100.0
        assert_(isclose(newpars['x'].value, 50.0))
コード例 #4
0
ファイル: test_parameters.py プロジェクト: andyfaff/lmfit-py
    def test_dumps_loads_parameters(self):
        # test that we can dumps() and then loads() a Parameters
        pars = Parameters()
        pars.add('x', value=1.0)
        pars.add('y', value=2.0)
        pars['x'].expr = 'y / 2.0'

        dumps = pars.dumps()

        newpars = Parameters().loads(dumps)
        newpars['y'].value = 100.0
        assert_(isclose(newpars['x'].value, 50.0))