Changeset 3657667 in sasview for sanscalculator

Timestamp:

Jan 12, 2013 2:45:21 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:

5917637

Parents:

3540156

Message:

Added arbitrary orientation for pdb atomic data

File:

• sanscalculator/src/sans/calculator/sans_gen.py (modified) (6 diffs)

sanscalculator/src/sans/calculator/sans_gen.py

@@ -8 +8 @@
 import numpy
 import os
+import copy
 
 MFactor_AM = 2.853E-12
@@ -52 +53 @@
         self.data_mz = None
         self.data_vol = None #[A^3]
+        self.is_avg = False
         ## Name of the model
         self.name = "GenSAS"
@@ -58 +60 @@
         self.params['scale']       = 1.0
         self.params['background']  = 0.0
+        self.params['solvent_SLD']     = 0.0
         self.params['Up_frac_in']     = 0.5
         self.params['Up_frac_out']    = 0.5
@@ -66 +69 @@
         self.details['scale']      = ['', None, None]
         self.details['background'] = ['[1/cm]', None, None]
+        self.details['solvent_SLD']    = ['1/A^(2)', None, None]
         self.details['Up_frac_in']    = ['[u/(u+d)]', None, None]
         self.details['Up_frac_out']   = ['[u/(u+d)]', None, None]
@@ -80 +84 @@
             raise
         self.data_vol = volume
-        
+    
+    def set_is_avg(self, is_avg=False):  
+        """
+        Sets is_avg: [bool]
+        """
+        self.is_avg = is_avg
+          
     def _gen(self, x, y, i):
         """
@@ -90 +100 @@
         """
         len_x = len(self.data_x)
+        if self.is_avg:
+            len_x *= -1
         len_q = len(x)
+        sldn = copy.deepcopy(self.data_sldn)
+        sldn -= self.params['solvent_SLD']
         model = mod.new_GenI(len_x, self.data_x, self.data_y, self.data_z, 
-                             self.data_sldn, self.data_mx, self.data_my, 
+                             sldn, self.data_mx, self.data_my, 
                              self.data_mz, self.data_vol,
                              self.params['Up_frac_in'],