Author: bugman Date: Tue Jun 7 17:27:04 2016 New Revision: 28226 URL: http://svn.gna.org/viewcvs/relax?rev=28226&view=rev Log: Huge speed up for the superimposition of a large number of structures.
The internal structural object validate_models() method was being called once for each structure via the selection() method prior performing the translations, and once prior to performing the rotations, for creating the atomic selection object. This resulted in the _translate() internal structural object method, which converts all input data to formatted strings, being called hundreds of millions of times. Therefore selection() method no longer calls validate_models(). This may speed up quite a number of internal structure object methods when large numbers of structures are present. Modified: trunk/lib/structure/internal/object.py Modified: trunk/lib/structure/internal/object.py URL: http://svn.gna.org/viewcvs/relax/trunk/lib/structure/internal/object.py?rev=28226&r1=28225&r2=28226&view=diff ============================================================================== --- trunk/lib/structure/internal/object.py (original) +++ trunk/lib/structure/internal/object.py Tue Jun 7 17:27:04 2016 @@ -2668,9 +2668,6 @@ if atom_id: sel_obj = Selection(atom_id) - # Validate the models. - self.validate_models(verbosity=0) - # Obtain all data from the first model (except the position data). model = self.structural_data[0] _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-commits mailing list relax-commits@gna.org 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