Author: bugman Date: Thu Oct 23 11:56:38 2014 New Revision: 26371 URL: http://svn.gna.org/viewcvs/relax?rev=26371&view=rev Log: Merged revisions 26367-26368 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk ........ r26367 | bugman | 2014-10-23 11:52:13 +0200 (Thu, 23 Oct 2014) | 5 lines Fix for the checks in the new Structure.test_load_spins_multi_mol system test. A spin index was incorrect. ........ r26368 | bugman | 2014-10-23 11:54:27 +0200 (Thu, 23 Oct 2014) | 8 lines Fix for the structure.load_spins user function when the from_mols argument is used. The load_spins_multi_mol() function of the pipe_control.structure.main module was incorrectly handling the atomic position returned by the internal structural object atom_loop() method. This position is a list of lists when multiple models are present. But when only a single model is present, it returns a simple list. ........ Modified: branches/space_mapping_refactor/ (props changed) branches/space_mapping_refactor/pipe_control/structure/main.py branches/space_mapping_refactor/test_suite/system_tests/structure.py Propchange: branches/space_mapping_refactor/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Thu Oct 23 11:56:38 2014 @@ -1 +1 @@ -/trunk:1-26362,26366 +/trunk:1-26370 Modified: branches/space_mapping_refactor/pipe_control/structure/main.py URL: http://svn.gna.org/viewcvs/relax/branches/space_mapping_refactor/pipe_control/structure/main.py?rev=26371&r1=26370&r2=26371&view=diff ============================================================================== --- branches/space_mapping_refactor/pipe_control/structure/main.py (original) +++ branches/space_mapping_refactor/pipe_control/structure/main.py Thu Oct 23 11:56:38 2014 @@ -29,6 +29,7 @@ from warnings import warn # relax module imports. +from lib.check_types import is_float from lib.checks import Check from lib.errors import RelaxError, RelaxFileError from lib.io import get_file_path, open_write_file, write_data @@ -854,8 +855,11 @@ # Generate a spin ID for the current atom. id = generate_spin_id_unique(mol_name=mol_name_target, res_num=res_num, res_name=res_name, spin_name=atom_name) - # Store the position info in all cases. - positions[mol_name][id] = pos[0] + # Store the position info in all cases, collapsing list of lists into single lists when needed. + if is_float(pos[0]): + positions[mol_name][id] = pos + else: + positions[mol_name][id] = pos[0] # Not a new ID. if id in ids: Modified: branches/space_mapping_refactor/test_suite/system_tests/structure.py URL: http://svn.gna.org/viewcvs/relax/branches/space_mapping_refactor/test_suite/system_tests/structure.py?rev=26371&r1=26370&r2=26371&view=diff ============================================================================== --- branches/space_mapping_refactor/test_suite/system_tests/structure.py (original) +++ branches/space_mapping_refactor/test_suite/system_tests/structure.py Thu Oct 23 11:56:38 2014 @@ -2988,7 +2988,7 @@ self.assertEqual(cdp.mol[0].res[0].spin[2].name, 'C3') self.assertEqual(cdp.mol[0].res[0].spin[2].num, None) self.assertEqual(len(cdp.mol[0].res[0].spin[2].pos), 2) - self.assertEqual(cdp.mol[0].res[0].spin[0].pos[0], None) + self.assertEqual(cdp.mol[0].res[0].spin[2].pos[0], None) self.assertEqual(cdp.mol[0].res[0].spin[2].pos[1][0], 8.062) self.assertEqual(cdp.mol[0].res[0].spin[2].pos[1][1], 0.431) self.assertEqual(cdp.mol[0].res[0].spin[2].pos[1][2], 3.048)