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) _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-commits