source: sasview/park_integration/ParkFitting.py @ 60c1943

ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload
Last change on this file since 60c1943 was d8a2e31, checked in by Gervaise Alina <gervyh@…>, 15 years ago

use eval distribution as well as run

  • Property mode set to 100644
File size: 4.9 KB
Line 
1"""
2    @organization: ParkFitting module contains SansParameter,Model,Data
3    FitArrange, ParkFit,Parameter classes.All listed classes work together to perform a
4    simple fit with park optimizer.
5"""
6import time
7import numpy
8import park
9from park import fit,fitresult
10from park import assembly
11from park.fitmc import FitSimplex, FitMC
12
13#from Loader import Load
14from AbstractFitEngine import FitEngine
15
16
17class ParkFit(FitEngine):
18    """
19        ParkFit performs the Fit.This class can be used as follow:
20        #Do the fit Park
21        create an engine: engine = ParkFit()
22        Use data must be of type plottable
23        Use a sans model
24       
25        Add data with a dictionnary of FitArrangeList where Uid is a key and data
26        is saved in FitArrange object.
27        engine.set_data(data,Uid)
28       
29        Set model parameter "M1"= model.name add {model.parameter.name:value}.
30        @note: Set_param() if used must always preceded set_model()
31             for the fit to be performed.
32        engine.set_param( model,"M1", {'A':2,'B':4})
33       
34        Add model with a dictionnary of FitArrangeList{} where Uid is a key and model
35        is save in FitArrange object.
36        engine.set_model(model,Uid)
37       
38        engine.fit return chisqr,[model.parameter 1,2,..],[[err1....][..err2...]]
39        chisqr1, out1, cov1=engine.fit({model.parameter.name:value},qmin,qmax)
40        @note: {model.parameter.name:value} is ignored in fit function since
41        the user should make sure to call set_param himself.
42    """
43    def __init__(self):
44        """
45            Creates a dictionary (self.fitArrangeList={})of FitArrange elements
46            with Uid as keys
47        """
48        self.fitArrangeDict={}
49        self.paramList=[]
50       
51    def createAssembly(self):
52        """
53        Extract sansmodel and sansdata from self.FitArrangelist ={Uid:FitArrange}
54        Create parkmodel and park data ,form a list couple of parkmodel and parkdata
55        create an assembly self.problem=  park.Assembly([(parkmodel,parkdata)])
56        """
57        mylist=[]
58        listmodel=[]
59        i=0
60        fitproblems=[]
61        for id ,fproblem in self.fitArrangeDict.iteritems():
62            if fproblem.get_to_fit()==1:
63                fitproblems.append(fproblem)
64               
65        if len(fitproblems)==0 : 
66            raise RuntimeError, "No Assembly scheduled for Park fitting."
67            return
68        for item in fitproblems:
69            parkmodel = item.get_model()
70            for p in parkmodel.parameterset:
71                ## does not allow status change for constraint parameters
72                if p.status!= 'computed':
73                    if p._getname()in item.pars:
74                        ## make parameters selected for fit will be between boundaries
75                        p.set( p.range )
76                               
77                    else:
78                        p.status= 'fixed'
79             
80            i+=1
81            Ldata=item.get_data()
82            #parkdata=self._concatenateData(Ldata)
83            parkdata=Ldata
84            fitness=(parkmodel,parkdata)
85            mylist.append(fitness)
86       
87        self.problem =  park.Assembly(mylist)
88       
89    def fit(self, *args, **kw):
90        return profile(self._fit, *args, **kw)
91   
92    def _fit(self,handler=None, curr_thread= None):
93        """
94            Performs fit with park.fit module.It can  perform fit with one model
95            and a set of data, more than two fit of  one model and sets of data or
96            fit with more than two model associated with their set of data and constraints
97           
98           
99            @param pars: Dictionary of parameter names for the model and their values.
100            @param qmin: The minimum value of data's range to be fit
101            @param qmax: The maximum value of data's range to be fit
102            @note:all parameter are ignored most of the time.Are just there to keep ScipyFit
103            and ParkFit interface the same.
104            @return result.fitness: Value of the goodness of fit metric
105            @return result.pvec: list of parameter with the best value found during fitting
106            @return result.cov: Covariance matrix
107        """
108        self.createAssembly()
109   
110        localfit = FitSimplex()
111        localfit.ftol = 1e-8
112       
113        # See `park.fitresult.FitHandler` for details.
114        fitter = FitMC(localfit=localfit, start_points=1)
115        if handler == None:
116            handler= fitresult.ConsoleUpdate(improvement_delta=0.1)
117     
118           
119        result = fit.fit(self.problem,
120                         fitter=fitter,
121                         handler= handler)
122        self.problem.all_results(result)
123        if result !=None:
124            return result
125        else:
126            raise ValueError, "SVD did not converge"
127           
128
129 
130   
131   
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