r8558 - in /branches/multi_structure/test_suite/system_tests: angles.py scripts/angles.py -- January 21, 2009 - 18:08

Author: bugman
Date: Wed Jan 21 18:08:35 2009
New Revision: 8558

URL: http://svn.gna.org/viewcvs/relax?rev=8558&view=rev
Log:
Fixes all over for the angles system test.

The sequence is no longer loaded as it doesn't have the molecule name and 
clashes with the
structure.load_spins() call.  Hence the spin specific checks have been 
updated.


Modified:
    branches/multi_structure/test_suite/system_tests/angles.py
    branches/multi_structure/test_suite/system_tests/scripts/angles.py

Modified: branches/multi_structure/test_suite/system_tests/angles.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/multi_structure/test_suite/system_tests/angles.py?rev=8558&r1=8557&r2=8558&view=diff
==============================================================================
--- branches/multi_structure/test_suite/system_tests/angles.py (original)
+++ branches/multi_structure/test_suite/system_tests/angles.py Wed Jan 21 
18:08:35 2009
@@ -48,10 +48,10 @@
         cdp = pipes.get_pipe()
 
         # Res info.
-        res_name = ['GLY', 'PRO', 'LEU', 'GLY', 'SER', 'MET', 'ASP', 'SER', 
'PRO', 'PRO', 'GLU', 'GLY', 'TYR', 'ARG', 'ARG']
-        spin_num = [1, 11, 28, 51, 59, 71, 91, 104, 116, 133, 150, 167, 
None, None, None]
-        spin_name = ['N']*12 + [None]*3
-        attached_atoms = [None, None, 'H', 'H', 'H', 'H', 'H', 'H', None, 
None, 'H', 'H', None, None, None]
+        res_name = ['GLY', 'PRO', 'LEU', 'GLY', 'SER', 'MET', 'ASP', 'SER', 
'PRO', 'PRO', 'GLU', 'GLY']
+        spin_num = [1, 11, 28, 51, 59, 71, 91, 104, 116, 133, 150, 167]
+        spin_name = ['N']*12
+        attached_atoms = [None, None, 'H', 'H', 'H', 'H', 'H', 'H', None, 
None, 'H', 'H']
         xh_vects = [
             None,
             None,
@@ -64,20 +64,17 @@
             None,
             None,
             [0.820296708196, 0.570330671495, -0.0428513205774],
-            [-0.223383112106, -0.034680483158, -0.974113571055],
-            None,
-            None,
-            None,
+            [-0.223383112106, -0.034680483158, -0.974113571055]
         ]
-        alpha = [None, None, 2.8102691247870459, 2.6063738282640672, 
2.9263088853837358, 2.5181004004450211, 1.3361463581932049, 
1.5031623128368377, None, None, 1.0968465542222101, 1.1932423104331247, None, 
None, None]
+        alpha = [None, None, 2.8102691247870459, 2.6063738282640672, 
2.9263088853837358, 2.5181004004450211, 1.3361463581932049, 
1.5031623128368377, None, None, 1.0968465542222101, 1.1932423104331247]
 
         # Molecule checks.
         self.assertEqual(len(cdp.mol), 1)
-        self.assertEqual(cdp.mol[0].name, None)
-        self.assertEqual(len(cdp.mol[0].res), 165)
+        self.assertEqual(cdp.mol[0].name, 'Ap4Aase_res1-12_mol1')
+        self.assertEqual(len(cdp.mol[0].res), 12)
 
-        # Checks for the first 15 residues.
-        for i in xrange(15):
+        # Checks for the first 12 residues.
+        for i in xrange(12):
             print cdp.mol[0].res[i].spin[0]
             # Check the residue and spin info.
             self.assertEqual(cdp.mol[0].res[i].num, i+1)

Modified: branches/multi_structure/test_suite/system_tests/scripts/angles.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/multi_structure/test_suite/system_tests/scripts/angles.py?rev=8558&r1=8557&r2=8558&view=diff
==============================================================================
--- branches/multi_structure/test_suite/system_tests/scripts/angles.py 
(original)
+++ branches/multi_structure/test_suite/system_tests/scripts/angles.py Wed 
Jan 21 18:08:35 2009
@@ -3,9 +3,6 @@
 
 # Create the data pipe.
 pipe.create('mf', 'mf')
-
-# Read the sequence.
-sequence.read(file='Ap4Aase.seq', dir=sys.path[-1] + 
'/test_suite/shared_data')
 
 # Read a PDB file.
 structure.read_pdb(file='Ap4Aase_res1-12.pdb', dir=sys.path[-1] + 
'/test_suite/shared_data/structures', read_model=1)