Author: bugman
Date: Tue Oct 21 15:55:05 2014
New Revision: 26326
URL: http://svn.gna.org/viewcvs/relax?rev=26326&view=rev
Log:
Fixes for the Structure.test_load_spins_multi_mol system test.
The call to the structure.load_spins user function has also been modified so
that all 3 spins are
loaded at the same time.
Modified:
trunk/test_suite/system_tests/structure.py
Modified: trunk/test_suite/system_tests/structure.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/structure.py?rev=26326&r1=26325&r2=26326&view=diff
==============================================================================
--- trunk/test_suite/system_tests/structure.py (original)
+++ trunk/test_suite/system_tests/structure.py Tue Oct 21 15:55:05 2014
@@ -2940,9 +2940,7 @@
cdp.structure.structural_data[0].mol[1].atom_num[i] = i + 104
# Load a few carbons.
- self.interpreter.structure.load_spins(':900@C1', from_mols=['L1',
'L2'], mol_name_target='Lactose')
- self.interpreter.structure.load_spins(':900@C2', from_mols=['L1',
'L2'], mol_name_target='Lactose')
- self.interpreter.structure.load_spins(':900@C3', from_mols=['L1',
'L2'], mol_name_target='Lactose')
+ self.interpreter.structure.load_spins(':900@C1,C2,C3',
from_mols=['L1', 'L2'], mol_name_target='Lactose')
# Check the sequence data.
self.assertEqual(len(cdp.mol), 1)
@@ -2963,7 +2961,7 @@
# Check the @C2 spin data.
self.assertEqual(cdp.mol[0].res[0].spin[1].name, 'C2')
self.assertEqual(cdp.mol[0].res[0].spin[1].num, None)
- self.assertEqual(len(cdp.mol[0].res[0].spin[0].pos), 2)
+ self.assertEqual(len(cdp.mol[0].res[0].spin[1].pos), 2)
self.assertEqual(cdp.mol[0].res[0].spin[1].pos[0][0], 6.250)
self.assertEqual(cdp.mol[0].res[0].spin[1].pos[0][1], 2.488)
self.assertEqual(cdp.mol[0].res[0].spin[1].pos[0][2], 2.102)
@@ -2972,12 +2970,12 @@
self.assertEqual(cdp.mol[0].res[0].spin[1].pos[1][2], 2.283)
# Check the @C3 spin data.
- self.assertEqual(cdp.mol[0].res[0].spin[0].name, 'C3')
- self.assertEqual(cdp.mol[0].res[0].spin[0].num, None)
- self.assertEqual(len(cdp.mol[0].res[0].spin[0].pos), 1)
- self.assertEqual(cdp.mol[0].res[0].spin[0].pos[0][0], 8.062)
- self.assertEqual(cdp.mol[0].res[0].spin[0].pos[0][1], 0.431)
- self.assertEqual(cdp.mol[0].res[0].spin[0].pos[0][2], 3.048)
+ self.assertEqual(cdp.mol[0].res[0].spin[2].name, 'C3')
+ self.assertEqual(cdp.mol[0].res[0].spin[2].num, None)
+ self.assertEqual(len(cdp.mol[0].res[0].spin[2].pos), 1)
+ self.assertEqual(cdp.mol[0].res[0].spin[2].pos[0][0], 8.062)
+ self.assertEqual(cdp.mol[0].res[0].spin[2].pos[0][1], 0.431)
+ self.assertEqual(cdp.mol[0].res[0].spin[2].pos[0][2], 3.048)
def test_load_internal_results(self):
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