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
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)
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))
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))