Author: bugman Date: Tue Feb 10 12:07:12 2015 New Revision: 27613 URL: http://svn.gna.org/viewcvs/relax?rev=27613&view=rev Log: Merged revisions 27612 via svnmerge from svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk ........ r27612 | bugman | 2015-02-10 12:05:01 +0100 (Tue, 10 Feb 2015) | 10 lines Huge speed up for the assembly of atomic coordinates from a large number of structures. The internal structural object validate_models() method was being called once for each structure when assembling the atomic coordinates. This resulted in the _translate() internal structural object method, which converts all input data to formatted strings, being called hundreds of millions of times. The problem was in lib.structure.internal.coordinates.assemble_atomic_coordinates(), in that the one_letter_codes() method, which calls validate_models(), was called for each molecule encountered. The solution was not to validate models in one_letter_codes(). ........ Modified: branches/frame_order_cleanup/ (props changed) branches/frame_order_cleanup/lib/structure/internal/object.py Propchange: branches/frame_order_cleanup/ ------------------------------------------------------------------------------ --- svnmerge-integrated (original) +++ svnmerge-integrated Tue Feb 10 12:07:12 2015 @@ -1 +1 @@ -/trunk:1-27606 +/trunk:1-27612 Modified: branches/frame_order_cleanup/lib/structure/internal/object.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/lib/structure/internal/object.py?rev=27613&r1=27612&r2=27613&view=diff ============================================================================== --- branches/frame_order_cleanup/lib/structure/internal/object.py (original) +++ branches/frame_order_cleanup/lib/structure/internal/object.py Tue Feb 10 12:07:12 2015 @@ -2312,9 +2312,6 @@ # Initialise. codes = '' - # Validate the models. - self.validate_models(verbosity=0) - # Use the first model. model = self.structural_data[0]