Author: bugman Date: Fri Aug 22 11:21:50 2014 New Revision: 25199 URL: http://svn.gna.org/viewcvs/relax?rev=25199&view=rev Log: Merged revisions 25197 via svnmerge from svn+ssh://[email protected]/svn/relax/trunk
........ r25197 | bugman | 2014-08-22 11:20:33 +0200 (Fri, 22 Aug 2014) | 7 lines Fix for bug #22505 (https://gna.org/bugs/?22505). This is the failure of the structure.create_diff_tensor_pdb user function when no structural data is present. The solution was simple - the CoM of the representation is set to the origin when no structural data is present, and the check for the presence of data removed. ........ Modified: branches/frame_order_cleanup/ (props changed) branches/frame_order_cleanup/pipe_control/structure/main.py Propchange: branches/frame_order_cleanup/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Fri Aug 22 11:21:50 2014 @@ -1 +1 @@ -/trunk:1-25195 +/trunk:1-25198 Modified: branches/frame_order_cleanup/pipe_control/structure/main.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/pipe_control/structure/main.py?rev=25199&r1=25198&r2=25199&view=diff ============================================================================== --- branches/frame_order_cleanup/pipe_control/structure/main.py (original) +++ branches/frame_order_cleanup/pipe_control/structure/main.py Fri Aug 22 11:21:50 2014 @@ -152,7 +152,10 @@ pipes.test() # Calculate the centre of mass. - com = pipe_centre_of_mass() + if hasattr(cdp, 'structure'): + com = pipe_centre_of_mass() + else: + com = zeros(3, float64) # Create the structural object. structure = Internal() @@ -179,10 +182,6 @@ # Test if the diffusion tensor data is loaded. if not hasattr(pipe, 'diff_tensor'): raise RelaxNoTensorError('diffusion') - - # Test if a structure has been loaded. - if not hasattr(cdp, 'structure'): - raise RelaxNoPdbError # Add a new structure. structure.add_molecule(name=mol_names[pipe_index]) _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list [email protected] 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
