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import logging
from bumps.names import *
from sasmodels import core, bumps_model, sesans
from sasdata.dataloader.loader import Loader
def get_bumps_model(model_name):
kernel = core.load_model(model_name)
model = bumps_model.Model(kernel)
return model
def sesans_fit(file, model, initial_vals={}, custom_params={}, param_range=[],
acceptance_angle=None):
"""
@param file: SESANS file location
@param model: Bumps model object or model name - can be model, model_1 * model_2, and/or model_1 + model_2
@param initial_vals: dictionary of {param_name : initial_value}
@param custom_params: dictionary of {custom_parameter_name : Parameter() object}
@param param_range: dictionary of {parameter_name : [minimum, maximum]}
@param constraints: dictionary of {parameter_name : constraint}
@return: FitProblem for Bumps usage
"""
logging.basicConfig()
initial_vals['background'] = 0.0
try:
loader = Loader()
data = loader.load(file)[0]
if data is None:
raise IOError("Could not load file %r"%(file))
except Exception:
raise
# If no loadable data file, generate random data
SElength = np.linspace(0, 2400, 61) # [A]
data = np.ones_like(SElength)
err_data = np.ones_like(SElength)*0.03
class Sample:
zacceptance = 0.1 # [A^-1]
thickness = 0.2 # [cm]
class SESANSData1D:
#q_zmax = 0.23 # [A^-1]
lam = 0.2 # [nm]
x = SElength
y = data
dy = err_data
sample = Sample()
has_no_finite_acceptance = acceptance_angle is not None
data = SESANSData1D()
data.acceptance_angle = acceptance_angle
data.has_no_finite_acceptance = acceptance_angle is not None
radius = initial_vals.get("radius", 1000)
data.Rmax = 30*radius # [A]
if isinstance(model, str):
model = get_bumps_model(model)
# Load custom parameters, initial values and parameter ranges
pars = model.parameters().copy()
pars.update(custom_params)
for k, v in custom_params.items():
if k not in pars:
par_error("Can't set parameter %r in model"%k, pars)
setattr(model, k, v)
model._parameter_names.append(k)
for k, v in initial_vals.items():
if k not in pars:
par_error("Can't get parameter %r from model"%k, pars)
param = pars[k]
param.value = v
for k, v in param_range.items():
if k not in pars:
par_error("Can't set range on parameter %r in model"%k, pars)
param = pars[k]
param.range(*v)
if False: # for future implementation
M_sesans = bumps_model.Experiment(data=data, model=model)
M_sans = bumps_model.Experiment(data=sans_data, model=model)
problem = FitProblem([M_sesans, M_sans])
else:
M_sesans = bumps_model.Experiment(data=data, model=model)
problem = FitProblem(M_sesans)
return problem
def par_error(msg, pars):
raise ValueError(msg+"\nAvailable parameters: %s"%", ".join(sorted(pars.keys())))
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