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)
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