Changeset 4e9f227 in sasview

Timestamp:

May 15, 2014 5:07:43 PM (10 years ago)

Author:

pkienzle

Branches:

master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, release_4.0.1, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload

Children:

786685e

Parents:

e3efa6b3

Message:

support simultaneous fitting in bumps

Files:

• src/sans/fit/BumpsFitting.py (modified) (7 diffs)
• src/sans/fit/expression.py (added)
• src/sans/perspectives/fitting/fitpage.py (modified) (4 diffs)
• src/sans/perspectives/fitting/fitting.py (modified) (2 diffs)
• src/sans/perspectives/fitting/simfitpage.py (modified) (1 diff)
• test/park_integration/test/utest_fit_cylinder.py (modified) (7 diffs)

src/sans/fit/BumpsFitting.py

@@ -2 +2 @@
 BumpsFitting module runs the bumps optimizer.
 """
-import time
-
 import numpy
 
@@ -11 +9 @@
 from bumps.fitproblem import FitProblem
 
-from sans.fit.AbstractFitEngine import FitEngine
-from sans.fit.AbstractFitEngine import FResult
+from .AbstractFitEngine import FitEngine
+from .AbstractFitEngine import FResult
+from .expression import compile_constraints
 
 class BumpsMonitor(object):
@@ -52 +51 @@
 
 
+# Note: currently using bumps parameters for each parameter object so that
+# a SasFitness can be used directly in bumps with the usual semantics.
+# The disadvantage of this technique is that we need to copy every parameter
+# back into the model each time the function is evaluated.  We could instead
+# define reference parameters for each sans parameter, but then we would not
+# be able to express constraints using python expressions in the usual way
+# from bumps, and would instead need to use string expressions.
 class SasFitness(object):
     """
     Wrap SAS model as a bumps fitness object
     """
-    def __init__(self, name, model, data, fitted=[], **kw):
-        self.name = name
-        self.model = model
+    def __init__(self, model, data, fitted=[], constraints={}, **kw):
+        self.name = model.name
+        self.model = model.model
         self.data = data
         self._define_pars()
         self._init_pars(kw)
+        self.constraints = dict(constraints)
         self.set_fitted(fitted)
         self._dirty = True
@@ -73 +80 @@
             self._pars[k] = parameter.Parameter(value=value, bounds=bounds,
                                                 fixed=True, name=name)
+        #print parameter.summarize(self._pars.values())
 
     def _init_pars(self, kw):
@@ -102 +110 @@
         """
         for k,p in self._pars.items():
-            p.fixed = (k not in param_list)
+            p.fixed = (k not in param_list or k in self.constraints)
         self.fitted_pars = [self._pars[k] for k in param_list]
         self.fitted_par_names = param_list
@@ -112 +120 @@
     def update(self):
         for k,v in self._pars.items():
+            #print "updating",k,v,v.value
             self.model.setParam(k,v.value)
         self._dirty = True
@@ -154 +163 @@
             ftol=1.49012e-8, reset_flag=False):
         # Build collection of bumps fitness calculators
-        models = [ SasFitness(name="M%d"%(i+1),
-                              model=M.get_model().model,
+        models = [ SasFitness(model=M.get_model(),
                               data=M.get_data(),
+                              constraints=M.constraints,
                               fitted=M.pars)
                    for i,M in enumerate(self.fit_arrange_dict.values())
                    if M.get_to_fit() == 1 ]
         problem = FitProblem(models)
+
+
+        # Build constraint expressions
+        exprs = {}
+        for M in models:
+            exprs.update((".".join((M.name,k)),v) for k,v in M.constraints.items())
+        if exprs:
+            symtab = dict((".".join((M.name,k)),p)
+                          for M in models
+                          for k,p in M.parameters().items())
+            constraints = compile_constraints(symtab,exprs)
+        else:
+            constraints = lambda: 0
+
+        # Override model update so that parameter constraints are applied
+        problem._model_update = problem.model_update
+        def model_update():
+            constraints()
+            problem._model_update()
+        problem.model_update = model_update
 
         # Run the fit

src/sans/perspectives/fitting/fitpage.py

@@ -661 +661 @@
                           wx.EXPAND | wx.ADJUST_MINSIZE, 0)
         
-        if self.engine_type == "park":
+        if self.engine_type in ("park","bumps"):
             self.text_disp_max.Show(True)
             self.text_disp_min.Show(True)
@@ -738 +738 @@
                                           wx.EXPAND | wx.ADJUST_MINSIZE, 0)
 
-                        if self.engine_type == "park":
+                        if self.engine_type in ("park","bumps"):
                             ctl3.Show(True)
                             ctl4.Show(True)
@@ -1005 +1005 @@
             return
 
-        if len(self._manager.fit_thread_list) > 0 and\
-                    self._manager._fit_engine != "park" and\
-                    self._manager.sim_page != None and \
-                    self._manager.sim_page.uid == self.uid:
+        if (len(self._manager.fit_thread_list) > 0
+                and self._manager._fit_engine not in ("park","bumps")
+                and self._manager.sim_page != None
+                and self._manager.sim_page.uid == self.uid):
             msg = "The FitEnging will be set to 'ParkMC'\n"
             msg += " to fit with more than one data set..."
@@ -2108 +2108 @@
         if chisqr != None and numpy.isfinite(chisqr):
             #format chi2
-            if self.engine_type == "park":
+            if self.engine_type in ("park","bumps"):
                 npt_fit = float(self.get_npts2fit())
             chi2 = format_number(chisqr, True)

src/sans/perspectives/fitting/fitting.py

@@ -999 +999 @@
             #simulatanous fit only one engine need to be created
             ## if simultaneous fit change automatically the engine to park
-            self._on_change_engine(engine='park')
+            if self._fit_engine not in ("park","bumps"):
+                self._on_change_engine(engine='park')
             sim_fitter = Fit(self._fit_engine)
             sim_fitter.fitter_id = self.sim_page.uid
@@ -1007 +1008 @@
             
         self.fitproblem_count = fitproblem_count
-        if self._fit_engine == "park":
+        if self._fit_engine in ("park","bumps"):
             engineType = "Simultaneous Fit"
         else:

src/sans/perspectives/fitting/simfitpage.py

@@ -152 +152 @@
         ## making sure all parameters content a constraint
         ## validity of the constraint expression is own by fit engine
-        if self.parent._manager._fit_engine != "park" and flag:
+        if self.parent._manager._fit_engine not in ("park","bumps") and flag:
             msg = "The FitEnging will be set to 'Park' fit engine\n"
             msg += " for the simultaneous fit..."

test/park_integration/test/utest_fit_cylinder.py

@@ -10 +10 @@
 from sans.dataloader.loader import Loader
 
+#@unittest.skip("")
 class TestSingleFit(unittest.TestCase):
     """ test single fitting """
@@ -33 +34 @@
         fitter.set_model(self.model,1,self.pars1)
         fitter.select_problem_for_fit(id=1,value=1)
-        return  fitter.fit()
-       
+        result1, = fitter.fit()
 
-    def test_scipy(self):
-        """ Simple cylinder model fit (scipy)  """
-        
-        result1, = self._fit("scipy")
-        
         self.assert_(result1)
         self.assertTrue(len(result1.pvec)>0 or len(result1.pvec)==0 )
         self.assertTrue(len(result1.stderr)> 0 or len(result1.stderr)==0)
-        
+
         self.assertTrue( math.fabs(result1.pvec[0]-400.0)/3.0 < result1.stderr[0] )
         self.assertTrue( math.fabs(result1.pvec[1]-20.0)/3.0  < result1.stderr[1] )
         self.assertTrue( math.fabs(result1.pvec[2]-1.0)/3.0   < result1.stderr[2] )
         self.assertTrue( result1.fitness < 1.0 )
-        
-        
+
+
+    def test_scipy(self):
+        """ Simple cylinder model fit (scipy)  """
+        self._fit("scipy")
+
+
     def test_park(self):
         """ Simple cylinder model fit (park)  """
-        #raise NotImplementedError()
-        result1, = self._fit("park")
-        
-        self.assert_(result1)
-        self.assertTrue(len(result1.pvec)>0 or len(result1.pvec)==0 )
-        self.assertTrue(len(result1.stderr)> 0 or len(result1.stderr)==0)
-       
-        self.assertTrue( math.fabs(result1.pvec[0]-400.0)/3.0 < result1.stderr[0] )
-        self.assertTrue( math.fabs(result1.pvec[1]-20.0)/3.0  < result1.stderr[1] )
-        self.assertTrue( math.fabs(result1.pvec[2]-1.0)/3.0   < result1.stderr[2] )
-        self.assertTrue( result1.fitness < 1.0 )
-        
-        
+        self._fit("park")
+
+    def test_bumps(self):
+        """ Simple cylinder model fit (park)  """
+        self._fit("bumps")
+
+
         
 class TestSimultaneousFit(unittest.TestCase):
@@ -82 +76 @@
         self.model1.set(scale= 1.0)
         self.model1.set(radius=18)
-        self.model1.set(length=396)
+        self.model1.set(length=200)
         self.model1.set(sldCyl=3e-006, sldSolv=0.0)
         self.model1.set(background=0.0)
-        
+
         cyl2  = CylinderModel()
         cyl2.name = "C2"
@@ -91 +85 @@
         self.model2.set(scale= 1.0)
         self.model2.set(radius=37)
-        self.model2.set(length='C1.length')
+        self.model2.set(length=300)
         self.model2.set(sldCyl=3e-006, sldSolv=0.0)
         self.model2.set(background=0.0)
-       
 
-    def test_park2(self):
+
+    def test_constrained_bumps(self):
+        """ Simultaneous cylinder model fit (park)  """
+        self._run_fit(Fit('bumps'))
+
+    #@unittest.skip("")
+    def test_constrained_park(self):
         """ Simultaneous cylinder model fit (park)  """
         self._run_fit(Fit('park'))
@@ -107 +106 @@
 
         for n, v, dv in zip(result1.param_list, result1.pvec, result1.stderr):
-            print "M1.%s = %s +/- %s"%(n,v,dv)
+            print "%s M1.%s = %s +/- %s"%(fitter._engine.__class__.__name__,n,v,dv)
             if n == "length":
                 self.assertTrue( math.fabs(v-400.0)/3.0 < dv )
@@ -115 +114 @@
                 self.assertTrue( math.fabs(v-1.0)/3.0 < dv )
         for n, v, dv in zip(result2.param_list, result2.pvec, result2.stderr):
-            print "M2.%s = %s +/- %s"%(n,v,dv)
+            print "%s M2.%s = %s +/- %s"%(fitter._engine.__class__.__name__,n,v,dv)
             if n=='radius':
                 self.assertTrue( math.fabs(v-40.0)/3.0 < dv )
@@ -127 +126 @@
 
         fitter.set_data(self.data2,2)
-        fitter.set_model(self.model2, 2, ['radius','scale'])
+        fitter.set_model(self.model2, 2, ['radius','scale'],
+                         constraints=[("length","C1.length")])
         fitter.select_problem_for_fit(id=1,value=1)
         fitter.select_problem_for_fit(id=2,value=1)