Author: bugman Date: Wed Jan 25 15:01:53 2012 New Revision: 15251 URL: http://svn.gna.org/viewcvs/relax?rev=15251&view=rev Log: Merged revisions 15236,15238,15245-15249 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3 ........ r15236 | bugman | 2012-01-24 19:25:14 +0100 (Tue, 24 Jan 2012) | 5 lines More speed ups for the Selection.__contains_mol_res_spin_containers() method. Certain unnecessary tests are now skipped. ........ r15238 | bugman | 2012-01-24 21:04:14 +0100 (Tue, 24 Jan 2012) | 3 lines Speed up for the generic_fns.relax_re.search() function. ........ r15245 | bugman | 2012-01-25 14:24:25 +0100 (Wed, 25 Jan 2012) | 3 lines Indentation fix. ........ r15246 | bugman | 2012-01-25 14:32:40 +0100 (Wed, 25 Jan 2012) | 5 lines Modified the J(w) mapping test data to include relaxation values of None. This should trigger bug #19329 (https://gna.org/bugs/index.php?19329) in the test suite. ........ r15247 | bugman | 2012-01-25 14:39:13 +0100 (Wed, 25 Jan 2012) | 6 lines Fix for bug #19329 (https://gna.org/bugs/index.php?19329). The spin is now deselected if there is really less than three data points, excluding data points of None. ........ r15248 | bugman | 2012-01-25 14:43:54 +0100 (Wed, 25 Jan 2012) | 3 lines Added some value.write user functions to the J(w) mapping sample script. ........ r15249 | bugman | 2012-01-25 14:50:54 +0100 (Wed, 25 Jan 2012) | 3 lines Added value.write uf calls to the J(w) mapping system test script. ........ Modified: branches/relax_disp/ (props changed) branches/relax_disp/generic_fns/mol_res_spin.py branches/relax_disp/generic_fns/relax_re.py branches/relax_disp/sample_scripts/jw_mapping.py branches/relax_disp/specific_fns/jw_mapping.py branches/relax_disp/test_suite/shared_data/jw_mapping/R1.dat branches/relax_disp/test_suite/shared_data/jw_mapping/R2.dat branches/relax_disp/test_suite/shared_data/jw_mapping/noe.dat branches/relax_disp/test_suite/system_tests/scripts/jw_mapping.py Propchange: branches/relax_disp/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Wed Jan 25 15:01:53 2012 @@ -1,1 +1,1 @@ -/1.3:1-15234 +/1.3:1-15249 Modified: branches/relax_disp/generic_fns/mol_res_spin.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/generic_fns/mol_res_spin.py?rev=15251&r1=15250&r2=15251&view=diff ============================================================================== --- branches/relax_disp/generic_fns/mol_res_spin.py (original) +++ branches/relax_disp/generic_fns/mol_res_spin.py Wed Jan 25 15:01:53 2012 @@ -223,6 +223,10 @@ # No molecule container sent in, therefore the molecule is assumed to match. select_mol = True + # Quick exit. + if not select_mol: + return False + # Residue container. if res: # No residues in selection object, therefore default to a match. @@ -235,6 +239,10 @@ else: # No residue container sent in, therefore the residue is assumed to match. select_res = True + + # Quick exit. + if not select_res: + return False # Spin container. if spin: Modified: branches/relax_disp/generic_fns/relax_re.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/generic_fns/relax_re.py?rev=15251&r1=15250&r2=15251&view=diff ============================================================================== --- branches/relax_disp/generic_fns/relax_re.py (original) +++ branches/relax_disp/generic_fns/relax_re.py Wed Jan 25 15:01:53 2012 @@ -67,6 +67,10 @@ # Force a conversion to str. pattern = str(pattern) + # Quick string check. + if id == pattern: + return True + # First replace any '*' with '.*' (relax to re conversion). pattern_re = replace(pattern, '*', '.*') id_re = replace(id, '*', '.*') Modified: branches/relax_disp/sample_scripts/jw_mapping.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/sample_scripts/jw_mapping.py?rev=15251&r1=15250&r2=15251&view=diff ============================================================================== --- branches/relax_disp/sample_scripts/jw_mapping.py (original) +++ branches/relax_disp/sample_scripts/jw_mapping.py Wed Jan 25 15:01:53 2012 @@ -64,6 +64,11 @@ grace.view(file='jwx.agr') grace.view(file='jwh.agr') +# Write out the values. +value.write(param='j0', file='j0.txt', force=True) +value.write(param='jwx', file='jwx.txt', force=True) +value.write(param='jwh', file='jwh.txt', force=True) + # Finish. results.write(file='results', force=True) state.save('save', force=True) Modified: branches/relax_disp/specific_fns/jw_mapping.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_fns/jw_mapping.py?rev=15251&r1=15250&r2=15251&view=diff ============================================================================== --- branches/relax_disp/specific_fns/jw_mapping.py (original) +++ branches/relax_disp/specific_fns/jw_mapping.py Wed Jan 25 15:01:53 2012 @@ -314,9 +314,17 @@ spin.select = False # Require 3 or more data points. - elif len(spin.ri_data) < 3: - warn(RelaxDeselectWarning(spin_id, 'insufficient relaxation data, 3 or more data points are required')) - spin.select = False + else: + # Count the points. + data_points = 0 + for id in cdp.ri_ids: + if spin.ri_data.has_key(id) and spin.ri_data[id] != None: + data_points += 1 + + # Not enough. + if data_points < 3: + warn(RelaxDeselectWarning(spin_id, 'insufficient relaxation data, 3 or more data points are required')) + spin.select = False return_data_name_doc = ["Reduced spectral density mapping data type string matching patterns", """ @@ -391,7 +399,7 @@ # Skip deselected spins. if not spin.select: - return + return # Return J(0) sim data. if index == 0: Modified: branches/relax_disp/test_suite/shared_data/jw_mapping/R1.dat URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/jw_mapping/R1.dat?rev=15251&r1=15250&r2=15251&view=diff ============================================================================== --- branches/relax_disp/test_suite/shared_data/jw_mapping/R1.dat (original) +++ branches/relax_disp/test_suite/shared_data/jw_mapping/R1.dat Wed Jan 25 15:01:53 2012 @@ -1,2 +1,3 @@ -2 Gly 1.0 0.05 -1 Gly 0.9 0.05 +1 Gly None None Modified: branches/relax_disp/test_suite/shared_data/jw_mapping/R2.dat URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/jw_mapping/R2.dat?rev=15251&r1=15250&r2=15251&view=diff ============================================================================== --- branches/relax_disp/test_suite/shared_data/jw_mapping/R2.dat (original) +++ branches/relax_disp/test_suite/shared_data/jw_mapping/R2.dat Wed Jan 25 15:01:53 2012 @@ -1,3 +1,4 @@ -2 Gly 15.0 0.5 -1 Gly 13.9 0.8 0 Gly 12.0 0.5 +1 Gly None None Modified: branches/relax_disp/test_suite/shared_data/jw_mapping/noe.dat URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/shared_data/jw_mapping/noe.dat?rev=15251&r1=15250&r2=15251&view=diff ============================================================================== --- branches/relax_disp/test_suite/shared_data/jw_mapping/noe.dat (original) +++ branches/relax_disp/test_suite/shared_data/jw_mapping/noe.dat Wed Jan 25 15:01:53 2012 @@ -1,3 +1,4 @@ -2 Gly 0.90 0.05 -1 Gly 0.79 0.05 0 Gly 0.6 0.1 +1 Gly None None Modified: branches/relax_disp/test_suite/system_tests/scripts/jw_mapping.py URL: http://svn.gna.org/viewcvs/relax/branches/relax_disp/test_suite/system_tests/scripts/jw_mapping.py?rev=15251&r1=15250&r2=15251&view=diff ============================================================================== --- branches/relax_disp/test_suite/system_tests/scripts/jw_mapping.py (original) +++ branches/relax_disp/test_suite/system_tests/scripts/jw_mapping.py Wed Jan 25 15:01:53 2012 @@ -45,6 +45,11 @@ grace.write(y_data_type='jwx', file='devnull', force=True) grace.write(y_data_type='jwh', file='devnull', force=True) +# Value writing. +value.write(param='j0', file='devnull', force=True) +value.write(param='jwx', file='devnull', force=True) +value.write(param='jwh', file='devnull', force=True) + # Finish. results.write(file='devnull', force=True) state.save('devnull', force=True)