""" ParkFitting module contains SansParameter,Model,Data FitArrange, ParkFit,Parameter classes.All listed classes work together to perform a simple fit with park optimizer. """ #import time import numpy #import park from park import fit from park import fitresult from park.assembly import Assembly from park.fitmc import FitSimplex import park.fitmc from park.fitmc import FitMC #from Loader import Load from sans.fit.AbstractFitEngine import FitEngine class MyAssembly(Assembly): def __init__(self, models, curr_thread=None): Assembly.__init__(self, models) self.curr_thread = curr_thread def eval(self): """ Recalculate the theory functions, and from them, the residuals and chisq. :note: Call this after the parameters have been updated. """ # Handle abort from a separate thread. self._cancel = False if self.curr_thread != None: try: self.curr_thread.isquit() except: self._cancel = True # Evaluate the computed parameters self._fitexpression() # Check that the resulting parameters are in a feasible region. if not self.isfeasible(): return numpy.inf resid = [] k = len(self._fitparameters) for m in self.parts: # In order to support abort, need to be able to propagate an # external abort signal from self.abort() into an abort signal # for the particular model. Can't see a way to do this which # doesn't involve setting a state variable. self._current_model = m if self._cancel: return numpy.inf if m.isfitted and m.weight != 0: m.residuals = m.fitness.residuals() N = len(m.residuals) m.degrees_of_freedom = N-k if N>k else 1 m.chisq = numpy.sum(m.residuals**2) resid.append(m.weight*m.residuals) self.residuals = numpy.hstack(resid) N = len(self.residuals) self.degrees_of_freedom = N-k if N>k else 1 self.chisq = numpy.sum(self.residuals**2) return self.chisq class ParkFit(FitEngine): """ ParkFit performs the Fit.This class can be used as follow: #Do the fit Park create an engine: engine = ParkFit() Use data must be of type plottable Use a sans model Add data with a dictionnary of FitArrangeList where Uid is a key and data is saved in FitArrange object. engine.set_data(data,Uid) Set model parameter "M1"= model.name add {model.parameter.name:value}. :note: Set_param() if used must always preceded set_model() for the fit to be performed. engine.set_param( model,"M1", {'A':2,'B':4}) Add model with a dictionnary of FitArrangeList{} where Uid is a key and model is save in FitArrange object. engine.set_model(model,Uid) engine.fit return chisqr,[model.parameter 1,2,..],[[err1....][..err2...]] chisqr1, out1, cov1=engine.fit({model.parameter.name:value},qmin,qmax) :note: {model.parameter.name:value} is ignored in fit function since the user should make sure to call set_param himself. """ def __init__(self): """ Creates a dictionary (self.fitArrangeList={})of FitArrange elements with Uid as keys """ FitEngine.__init__(self) self.fit_arrange_dict = {} self.param_list = [] def create_assembly(self, curr_thread): """ Extract sansmodel and sansdata from self.FitArrangelist ={Uid:FitArrange} Create parkmodel and park data ,form a list couple of parkmodel and parkdata create an assembly self.problem= park.Assembly([(parkmodel,parkdata)]) """ mylist = [] #listmodel = [] #i = 0 fitproblems = [] for fproblem in self.fit_arrange_dict.itervalues(): if fproblem.get_to_fit() == 1: fitproblems.append(fproblem) if len(fitproblems) == 0: raise RuntimeError, "No Assembly scheduled for Park fitting." return for item in fitproblems: parkmodel = item.get_model() for p in parkmodel.parameterset: ## does not allow status change for constraint parameters if p.status != 'computed': if p.get_name()in item.pars: ## make parameters selected for #fit will be between boundaries p.set(p.range) else: p.status = 'fixed' data_list = item.get_data() parkdata = data_list fitness = (parkmodel, parkdata) mylist.append(fitness) self.problem = MyAssembly(models=mylist, curr_thread=curr_thread) def fit(self, q=None, handler=None, curr_thread=None, ftol=1.49012e-8): """ Performs fit with park.fit module.It can perform fit with one model and a set of data, more than two fit of one model and sets of data or fit with more than two model associated with their set of data and constraints :param pars: Dictionary of parameter names for the model and their values. :param qmin: The minimum value of data's range to be fit :param qmax: The maximum value of data's range to be fit :note: all parameter are ignored most of the time.Are just there to keep ScipyFit and ParkFit interface the same. :return: result.fitness Value of the goodness of fit metric :return: result.pvec list of parameter with the best value found during fitting :return: result.cov Covariance matrix """ self.create_assembly(curr_thread=curr_thread) localfit = FitSimplex() localfit.ftol = ftol # See `park.fitresult.FitHandler` for details. fitter = FitMC(localfit=localfit, start_points=1) if handler == None: handler = fitresult.ConsoleUpdate(improvement_delta=0.1) result = fit.fit(self.problem, fitter=fitter, handler=handler) self.problem.all_results(result) if result != None: if q != None: q.put(result) return q return result else: raise ValueError, "SVD did not converge"