URL: <http://gna.org/bugs/?20421> Summary: The loading of certain old relax state files containing multiple data pipes fails. Project: relax Submitted by: bugman Submitted on: Thu 10 Jan 2013 03:13:21 PM GMT Category: relax's source code Severity: 4 - Important Priority: 7 - High Status: In Progress Privacy: Public Assigned to: bugman Originator Name: Originator Email: Open/Closed: Open Discussion Lock: Any Release: 2.1.2 Operating System: All systems _______________________________________________________ Details: It appears as if the spin ID metadata structures are not properly updated when loading the state. This is being caught by the State.test_align_tensor_with_mc_sims system test with the error: ====================================================================== ERROR: Test the loading of a relax state with an alignment tensor with MC simulation structures. ---------------------------------------------------------------------- Traceback (most recent call last): File "test_suite/system_tests/state.py", line 70, in test_align_tensor_with_mc_sims self.interpreter.state.load(path) File "prompt/uf_objects.py", line 219, in __call__ self._backend(*new_args, **uf_kargs) File "generic_fns/state.py", line 101, in load_state ds.from_xml(file) File "data/__init__.py", line 509, in from_xml self._back_compat_hook(file_version, pipes=pipes) File "data/__init__.py", line 257, in _back_compat_hook h_spin = generic_fns.mol_res_spin.create_spin(mol_name=mol.name, res_num=res.num, res_name=res.name, spin_name=proton_name, pipe=pipe_name) File "generic_fns/mol_res_spin.py", line 1226, in create_spin res_cont.spin.add_item(spin_num=spin_num, spin_name=spin_name) File "data/mol_res_spin.py", line 256, in add_item raise RelaxError("The unnumbered spin name '%s' already exists." % spin_name) RelaxError: RelaxError: The unnumbered spin name 'H' already exists. ---------------------------------------------------------------------- _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?20421> _______________________________________________ Message sent via/by Gna! http://gna.org/