Author: bugman
Date: Fri Dec 12 21:48:16 2014
New Revision: 27111
URL: http://svn.gna.org/viewcvs/relax?rev=27111&view=rev
Log:
Fix for the Noe.test_bug_21562_noe_replicate_fail system test.
This is for the changed behaviour of the structure.read_pdb user function. The
problem is that the
PDB file read in this test has the chain ID set to X. This broken PDB causes
molecule numbering
problems.
Modified:
trunk/test_suite/system_tests/noe.py
trunk/test_suite/system_tests/scripts/noe/bug_21562_noe_replicate_fail.py
Modified: trunk/test_suite/system_tests/noe.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/noe.py?rev=27111&r1=27110&r2=27111&view=diff
==============================================================================
--- trunk/test_suite/system_tests/noe.py (original)
+++ trunk/test_suite/system_tests/noe.py Fri Dec 12 21:48:16 2014
@@ -62,10 +62,10 @@
data = [
"# Parameter description: The steady-state NOE value.\n",
"#\n",
- "# mol_name res_num res_name spin_num spin_name
value error \n",
- "2AT7_fmf_mol1 12 PHE 150 N
0.803029108487728 0.0199040298831904 \n",
- "2AT7_fmf_mol1 13 ASN 170 N
0.829415981681132 0.0339996453012768 \n",
- "2AT7_fmf_mol1 14 LYS 184 N
0.755789564728523 0.0250941717735858 \n"
+ "# mol_name res_num res_name spin_num spin_name
value error \n",
+ "2AT7_fmf 12 PHE 150 N
0.803029108487728 0.0199040298831904 \n",
+ "2AT7_fmf 13 ASN 170 N
0.829415981681132 0.0339996453012768 \n",
+ "2AT7_fmf 14 LYS 184 N
0.755789564728523 0.0250941717735858 \n"
]
# Printout of the real and generated data.
Modified:
trunk/test_suite/system_tests/scripts/noe/bug_21562_noe_replicate_fail.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/scripts/noe/bug_21562_noe_replicate_fail.py?rev=27111&r1=27110&r2=27111&view=diff
==============================================================================
--- trunk/test_suite/system_tests/scripts/noe/bug_21562_noe_replicate_fail.py
(original)
+++ trunk/test_suite/system_tests/scripts/noe/bug_21562_noe_replicate_fail.py
Fri Dec 12 21:48:16 2014
@@ -16,7 +16,7 @@
path_lists = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'peak_lists'+sep+'bug_21562'
# Load the structure.
-structure.read_pdb(file='2AT7_fmf.pdb', dir=path_struct)
+structure.read_pdb(file='2AT7_fmf.pdb', dir=path_struct,
set_mol_name='2AT7_fmf')
# Load the sequence.
structure.load_spins(spin_id='@N', mol_name_target=None, ave_pos=True)
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