r27111 - in /trunk/test_suite/system_tests: noe.py scripts/noe/bug_21562_noe_replicate_fail.py -- December 12, 2014 - 21:48

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)