r14926 - /1.3/test_suite/system_tests/structure.py -- October 26, 2011 - 12:25

Author: bugman
Date: Wed Oct 26 12:25:19 2011
New Revision: 14926

URL: http://svn.gna.org/viewcvs/relax?rev=14926&view=rev
Log:
Added a 3rd structure to the Structure.test_superimpose_fit_to_first system 
test and loosened the checks.


Modified:
    1.3/test_suite/system_tests/structure.py

Modified: 1.3/test_suite/system_tests/structure.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/test_suite/system_tests/structure.py?rev=14926&r1=14925&r2=14926&view=diff
==============================================================================
--- 1.3/test_suite/system_tests/structure.py (original)
+++ 1.3/test_suite/system_tests/structure.py Wed Oct 26 12:25:19 2011
@@ -788,14 +788,22 @@
         # Load the two rotated structures.
         self.interpreter.structure.read_pdb('1J7P_1st_NH.pdb', dir=path, 
set_model_num=1, set_mol_name='CaM')
         self.interpreter.structure.read_pdb('1J7P_1st_NH_rot.pdb', dir=path, 
set_model_num=2, set_mol_name='CaM')
+        self.interpreter.structure.read_pdb('1J7P_1st_NH.pdb', dir=path, 
set_model_num=3, set_mol_name='CaM')
 
         # Superimpose the backbone heavy atoms.
-        self.interpreter.structure.superimpose(models=[1, 2], method='fit to 
first', atom_id='@N,C,CA,O')
+        self.interpreter.structure.superimpose(method='fit to first', 
atom_id='@N,C,CA,O')
 
         # Check that the two structures now have the same atomic coordinates.
         model1 = cdp.structure.structural_data[0].mol[0]
         model2 = cdp.structure.structural_data[1].mol[0]
+        model3 = cdp.structure.structural_data[2].mol[0]
         for i in range(len(model1.atom_name)):
-            self.assertAlmostEqual(model1.x[i], model2.x[i])
-            self.assertAlmostEqual(model1.y[i], model2.y[i])
-            self.assertAlmostEqual(model1.z[i], model2.z[i])
+            # Check model 2.
+            self.assertAlmostEqual(model1.x[i], model2.x[i], 2)
+            self.assertAlmostEqual(model1.y[i], model2.y[i], 2)
+            self.assertAlmostEqual(model1.z[i], model2.z[i], 2)
+
+            # Check model 3.
+            self.assertAlmostEqual(model1.x[i], model3.x[i], 2)
+            self.assertAlmostEqual(model1.y[i], model3.y[i], 2)
+            self.assertAlmostEqual(model1.z[i], model3.z[i], 2)