Changeset a50da82 in sasview for test/sascalculator/test/utest_sld.py

Timestamp:

Sep 23, 2017 11:25:06 AM (7 years ago)

Author:

Paul Kienzle <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, magnetic_scatt, release-4.2.2, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload

Children:

c8321cfc

Parents:

1d014cb

git-author:

Paul Kienzle <pkienzle@…> (09/23/17 11:24:22)

git-committer:

Paul Kienzle <pkienzle@…> (09/23/17 11:25:06)

Message:

enable periodictable tests

File:

• test/sascalculator/test/utest_sld.py (moved) (moved from test/calculatorview/test/utest_sld.py) (7 diffs)

test/sascalculator/test/utest_sld.py

@@ -10 +10 @@
 from periodictable.constants import avogadro_number
 from  periodictable.nsf import neutron_scattering, neutron_sld
-       
+
 
 def calculate_xray_sld(element, density, molecule_formula):
@@ -19 +19 @@
     element_formula = formula(str(element))
     if len(element_formula.atoms) != 1:
-        return 
-    element = element_formula.atoms.keys()[0] 
+        return
+    element = next(iter(element_formula.atoms))  # only one element...
     energy = xray_energy(element.K_alpha)
     atom = molecule_formula.atoms
@@ -30 +30 @@
     Sld calculator test for H2O
     """
-    
+
     def setUp(self):
         """Inititialze variables"""
-        
+
         self.compound = "H2O"
         self.density = 1.0
         self.wavelength = 6.0
         self.sld_formula = formula(self.compound, density=self.density)
-    
+
     def test_neutron_sld(self):
         """
-        test sld 
+        test sld
         """
         #Compute incoherence , absorption, and incoherence
         (sld_real,sld_im,sld_inc), (coh,abs,incoh), length = neutron_scattering(self.compound,
-                                       density=self.density, wavelength=self.wavelength) 
+                                       density=self.density, wavelength=self.wavelength)
         cu_real, cu_im = calculate_xray_sld(element="Cu", density=self.density,
                                   molecule_formula=self.sld_formula)
         mo_real, mo_im = calculate_xray_sld(element="Mo", density=self.density,
                                   molecule_formula=self.sld_formula)
-        #test sld 
+        #test sld
         self.assertAlmostEquals(sld_real * _SCALE, -5.6e-7, 1)
         self.assertAlmostEquals(sld_im * _SCALE, 0)
@@ -64 +64 @@
         self.assertAlmostEquals(mo_real * _SCALE, 9.43e-6)
         self.assertAlmostEquals(mo_im * _SCALE, 5.65e-7,1)
-    
-    
+
+
 class TestD2O(unittest.TestCase):
     """
     Sld calculator test for D2O
     """
-    
+
     def setUp(self):
         """Inititialze variables"""
-        
+
         self.compound = "D2O"
         self.density = 1.1
         self.wavelength = 6.0
         self.sld_formula = formula(self.compound, density=self.density)
-    
+
     def test_neutron_sld(self):
         """
-        test sld 
+        test sld
         """
         #Compute incoherence , absorption, and incoherence
         (sld_real,sld_im,sld_inc), (coh,abs,incoh), length = neutron_scattering(self.compound,
-                                       density=self.density, wavelength=self.wavelength) 
+                                       density=self.density, wavelength=self.wavelength)
         cu_real, cu_im = calculate_xray_sld(element="Cu", density=self.density,
                                   molecule_formula=self.sld_formula)
         mo_real, mo_im = calculate_xray_sld(element="Mo", density=self.density,
                                   molecule_formula=self.sld_formula)
-        #test sld 
+        #test sld
         self.assertAlmostEquals(sld_real * _SCALE, 6.33e-6, 1)
         self.assertAlmostEquals(sld_im * _SCALE, 0)
@@ -104 +104 @@
         self.assertAlmostEquals(mo_real * _SCALE, 9.33e-6)
         self.assertAlmostEquals(mo_im * _SCALE, 5.59e-9,1)
-    
-        
+
+
 class TestCd(unittest.TestCase):
     """
     Sld calculator test for Cd
     """
-    
+
     def setUp(self):
         """Inititialze variables"""
@@ -118 +118 @@
         self.wavelength = 6.0
         self.sld_formula = formula(self.compound, density=self.density)
-       
+
     def test_neutron_sld(self):
         """
-        test sld 
+        test sld
         """
         #Compute incoherence , absorption, and incoherence
         (sld_real,sld_im,sld_inc), (coh,abs,incoh), length = neutron_scattering(self.compound,
-                                density=self.density, wavelength=self.wavelength) 
+                                density=self.density, wavelength=self.wavelength)
         cu_real, cu_im = calculate_xray_sld(element="Cu", density=self.density,
                                   molecule_formula=self.sld_formula)
         mo_real, mo_im = calculate_xray_sld(element="Mo", density=self.density,
                                   molecule_formula=self.sld_formula)
-        #test sld 
+        #test sld
         self.assertAlmostEquals(sld_real * _SCALE, 1.04e-6, 1)
         self.assertAlmostEquals(sld_im * _SCALE, -1.5e-7, 1)
@@ -144 +144 @@
         self.assertAlmostEquals(mo_real * _SCALE, 2.84e-5, 1)
         self.assertAlmostEquals(mo_im * _SCALE, 7.26e-7,1)
-  
+
 if __name__ == '__main__':
     unittest.main()