more tweaks to XRF fitting

xraypy · Jul 12, 2024 · bacce3a · bacce3a
1 parent 3844bf0
commit bacce3a
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Showing 2 changed files with 18 additions and 9 deletions.
diff --git a/larch/wxlib/xrfdisplay_fitpeaks.py b/larch/wxlib/xrfdisplay_fitpeaks.py
@@ -141,7 +141,7 @@ def VarChoice(p, default=0, size=(90, -1)):
 
 
 DEF_CONFIG = { "mca_name": "", "escape_use": True, "escape_amp": 0.25,
-               "pileup_use": True, "pileup_amp": 0.1, "escape_amp_vary":
+               "pileup_use": True, "pileup_amp": 0.2, "escape_amp_vary":
                True, "pileup_amp_vary": True, "cal_slope": 0.01,
                "cal_offset": 0, "cal_vary": True, "det_mat": "Si", "det_thk":
                0.4, "det_noise_vary": True,
@@ -228,12 +228,13 @@ def __init__(self, parent, size=(750, 850)):
                                        action=self.onShowModel)
         self.wids['btn_fit'] = Button(pan, 'Fit Model', size=(150, -1),
                                        action=self.onFitModel)
+        self.wids['fit_message'] = SimpleText(pan, ' ', size=(300, -1), style=LEFT)
 
         pan.AddText("  XRF Spectrum: ", colour='#880000')
         pan.Add(self.wids['mca_name'], dcol=3)
         pan.Add(self.wids['btn_calc'], newrow=True)
         pan.Add(self.wids['btn_fit'])
-
+        pan.Add(self.wids['fit_message'])
         self.panels = {}
         self.panels['Beam & Detector']  = self.beamdet_page
         self.panels['Filters & Matrix'] = self.materials_page
@@ -371,11 +372,11 @@ def beamdet_page(self, **kws):
         cal_offset = getattr(mca, 'offset',  0)
         cal_slope = getattr(mca, 'slope',  0.010)
         det_noise = getattr(mca, 'det_noise',  0.035)
-        escape_amp = getattr(mca, 'escape_amp', 0.10)
+        escape_amp = getattr(mca, 'escape_amp', 0.25)
 
         if not hasattr(self.mca, 'pileup_scale'):
             self.mca.predict_pileup()
-        pileup_amp = max(0.001, getattr(mca, 'pileup_scale', 0.05))
+        pileup_amp = max(0.001, getattr(mca, 'pileup_scale', 0.25))
 
         wids = self.wids
         pdet = GridPanel(self, itemstyle=LEFT)
@@ -1322,11 +1323,13 @@ def plot_model(self, model_spectrum=None, init=False, with_comps=False,
     def onShowModel(self, event=None):
         self.build_model()
         self.plot_model(init=True, with_comps=False)
+        self.wids['fit_message'].SetLabel("Initial Model Built")
 
     def onFitIteration(self, iter=0, pars=None):
-        # print("XRF Fit iteration %d" % iter)
-        # self.wids['fit_message'].SetLabel("Fit iteration %d" % iter)
-        pass
+        if iter % 10 == 0:
+            nvar = len([p for p in pars.values() if p.vary])
+            print(f"XRF Fit iteration {iter}, {nvar} variables")
+        # pass
 
 
     def onFitModel(self, event=None):
@@ -1352,7 +1355,13 @@ def onFitModel(self, event=None):
         dgroup = self._larch.symtable.get_group(self.mcagroup)
         self.xrfresults = self._larch.symtable.get_symbol(XRFRESULTS_GROUP)
 
-        xrfresult = self.xrfresults[0]
+        try:
+            xrfresult = self.xrfresults[0]
+            self.wids['fit_message'].SetLabel("Fit Complete")
+        except:
+            self.wids['fit_message'].SetLabel("fit failed, cannot get result")
+            return
+
         xrfresult.script = "%s\n%s" % (self.model_script, fit_script)
         xrfresult.label = "fit %d" % (len(self.xrfresults))
         self.plot_model(init=True, with_comps=False)

diff --git a/larch/xrf/xrf_model.py b/larch/xrf/xrf_model.py
@@ -508,7 +508,7 @@ def __resid(self, params, data, index):
         self.fit_iter += 1
         model = self.calc_spectrum(self.best_en, params=params)
         if callable(self.iter_callback):
-            self.iter_callback(iter=self.fit_iter, pars=pars)
+            self.iter_callback(iter=self.fit_iter, pars=params)
         return ((data - model) * self.fit_weight)[self.imin:self.imax]
 
     def set_fit_weight(self, energy, counts, emin, emax, ewid=0.050):