Changeset afd45674 in sasview

Timestamp:

Jan 18, 2013 6:05:38 PM (12 years ago)

Author:

Jae Cho <jhjcho@…>

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:

afcb052

Parents:

1c6c1b7

Message:

Added total volume param in the sasgen model

Files:

• calculatorview/src/sans/perspectives/calculator/gen_scatter_panel.py (modified) (7 diffs)
• calculatorview/src/sans/perspectives/calculator/media/gen_gui_help.bmp (modified) (previous)
• calculatorview/src/sans/perspectives/calculator/media/gen_sans_help.html (modified) (1 diff)
• sanscalculator/src/sans/calculator/sans_gen.py (modified) (4 diffs)

calculatorview/src/sans/perspectives/calculator/gen_scatter_panel.py

@@ -580 +580 @@
         self.model.set_is_avg(is_avg)
         self.model.set_sld_data(self.sld_data)
+        
         self.draw_button.Enable(self.sld_data!=None)
         wx.CallAfter(self.parent.set_sld_data, self.sld_data)
+        self._update_model_params()
         if is_draw:
             wx.CallAfter(self.sld_draw, False)
-            
+    
+    def _update_model_params(self):
+        """
+        Update the model parameter values
+        """
+        for list in self.parameters:
+            param_name = list[0].GetLabelText()
+            val = str(self.model.params[param_name])
+            list[1].SetValue(val)
+    
+    def set_volume_ctl_val(self, val):
+        """
+        Set volume txtctrl value
+        """
+        for list in self.parameters:
+            param_name = list[0].GetLabelText()
+            if param_name.lower() == 'total_volume':
+                list[1].SetValue(val)
+                list[1].Refresh()
+                break
+                            
     def _onparamEnter(self, event):
         """
@@ -787 +809 @@
             return
         try:
-            #vol = self.parent.get_pix_volumes()
-            #self.model.set_pixel_volumes(vol)
             self.model.set_sld_data(self.sld_data)
             self.set_input_params()
@@ -1522 +1542 @@
                     nop = npts
                 self.display_npts(nop)
+                
         ctl.Refresh()
         return flag
     
+    def _set_volume_ctr_val(self, npts):
+        """
+        Set total volume
+        """
+        total_volume = npts * self.sld_data.vol_pix[0]
+        self.parent.set_volume_ctr_val(total_volume)
+                    
     def _onstepsize(self, event):
         """
@@ -1547 +1575 @@
                         s_size *= s_val
                 self.sld_data.set_pixel_volumes(s_size)
+                if ctl.IsEnabled():
+                    total_volume = sum(self.sld_data.vol_pix)
+                    self.parent.set_volume_ctr_val(total_volume)
             except:
                 pass
@@ -1572 +1603 @@
             self.npix_ctl.Refresh()
             self.parent.set_etime()
+            wx.CallAfter(self._set_volume_ctr_val, nop)
         except:
             # On Init
@@ -1607 +1639 @@
     """
     def __init__(self, parent=None, title="Generic Scattering Calculator",
-                size=(PANEL_WIDTH * 1.3, PANEL_HEIGHT * 1.57), *args, **kwds):
+                size=(PANEL_WIDTH * 1.3, PANEL_HEIGHT * 1.65), *args, **kwds):
         """
         Init
@@ -1835 +1867 @@
         return vol
     
+    def set_volume_ctr_val(self, val):
+        """
+        Set volume txtctl value
+        """
+        try:
+            self.panel.set_volume_ctl_val(str(val))
+        except:
+            print "self.panel is not initialized yet"
+            
     def set_omfpanel_default_shap(self, shape):
         """

calculatorview/src/sans/perspectives/calculator/media/gen_sans_help.html

@@ -27 +27 @@
 for &#946;<sub>j</sub> &#8800; 0 where v<sub>j</sub> is the volume of the j'th pixel 
 (or the j'th natural atomic volume (= atomic mass/natural molar density/Abogadro number) 
- for the atomic structures given by a pdb file).
+ for the atomic structures). The total volume V can be corrected by users. 
+This correction is useful especially for an atomic structure (taken from a pdb file) to get the right 
+normalization. Note that the  &#946;<sub>j</sub> displayed in GUI may be incorrect but will not 
+affect the scattering computation if the correction of the total volume is made.
 <br>
 The scattering length density (SLD) of each pixel where the SLD is uniform, is a combination of the nuclear and magnetic SLDs 

sanscalculator/src/sans/calculator/sans_gen.py

@@ -61 +61 @@
         self.params['background']  = 0.0
         self.params['solvent_SLD']     = 0.0
+        self.params['total_volume'] = 1.0
         self.params['Up_frac_in']     = 1.0
         self.params['Up_frac_out']    = 1.0
@@ -70 +71 @@
         self.details['background'] = ['[1/cm]', None, None]
         self.details['solvent_SLD']    = ['1/A^(2)', None, None]
+        self.details['total_volume']    = ['A^(3)', None, None]
         self.details['Up_frac_in']    = ['[u/(u+d)]', None, None]
         self.details['Up_frac_out']   = ['[u/(u+d)]', None, None]
@@ -113 +115 @@
 
         mod.genicom(model, len_q, x, y, i)
-        return  self.params['scale'] * i + self.params['background']
+        vol_correction = self.data_total_volume / self.params['total_volume']
+        return  self.params['scale'] * vol_correction * i + \
+                        self.params['background']
         
     def set_sld_data(self, sld_data=None):   
@@ -129 +133 @@
         self.data_mz = sld_data.sld_mz
         self.data_vol = sld_data.vol_pix
+        self.data_total_volume = sum(sld_data.vol_pix)
+        self.params['total_volume'] = sum(sld_data.vol_pix)
         
     def getProfile(self):