URL: <http://gna.org/bugs/?22860> Summary: Failure of the structure.com user function after calling structure.delete. Project: relax Submitted by: bugman Submitted on: Thu 23 Oct 2014 09:41:41 AM UTC Category: relax's source code Specific analysis category: All analyses Priority: 3 - Low Severity: 2 - Minor Status: None Assigned to: bugman Originator Name: Originator Email: Open/Closed: Open Release: 3.3.1 Discussion Lock: Any Operating System: All systems _______________________________________________________ Details: The following user functions are sufficient to trigger the bug: pipe.create(pipe_name='CoM fail', pipe_type='mf') structure.read_pdb(file='1J7P_1st_NH.pdb', dir='test_suite/shared_data/frame_order/cam', set_mol_name='C-dom', set_model_num=1) structure.delete() structure.com() This results in the error: relax> structure.com(model=None, atom_id=None) Traceback (most recent call last): File "/data/relax/relax-trunk/multi/processor.py", line 494, in run self.callback.init_master(self) File "/data/relax/relax-trunk/multi/__init__.py", line 318, in default_init_master self.master.run() File "/data/relax/relax-trunk/relax.py", line 199, in run self.interpreter.run(self.script_file) File "/data/relax/relax-trunk/prompt/interpreter.py", line 279, in run return run_script(intro=self.__intro_string, local=locals(), script_file=script_file, show_script=self.__show_script, raise_relax_error=self.__raise_relax_error) File "/data/relax/relax-trunk/prompt/interpreter.py", line 585, in run_script return console.interact(intro, local, script_file, show_script=show_script, raise_relax_error=raise_relax_error) File "/data/relax/relax-trunk/prompt/interpreter.py", line 484, in interact_script exec_script(script_file, local) File "/data/relax/relax-trunk/prompt/interpreter.py", line 363, in exec_script runpy.run_module(module, globals) File "/usr/lib64/python2.7/runpy.py", line 180, in run_module fname, loader, pkg_name) File "/usr/lib64/python2.7/runpy.py", line 72, in _run_code exec code in run_globals File "/data/relax/relax-trunk/aaa.py", line 4, in <module> structure.com() File "/data/relax/relax-trunk/prompt/uf_objects.py", line 226, in __call__ self._backend(*new_args, **uf_kargs) File "/data/relax/relax-trunk/pipe_control/structure/main.py", line 319, in com cdp.com = pipe_centre_of_mass(model=model, atom_id=atom_id) File "/data/relax/relax-trunk/pipe_control/structure/mass.py", line 51, in pipe_centre_of_mass selection = cdp.structure.selection(atom_id=atom_id) File "/data/relax/relax-trunk/lib/structure/internal/object.py", line 2377, in selection model = self.structural_data[0] IndexError: list index out of range _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?22860> _______________________________________________ Message sent via/by Gna! http://gna.org/