Author: bugman Date: Thu Mar 24 16:00:41 2011 New Revision: 12819 URL: http://svn.gna.org/viewcvs/relax?rev=12819&view=rev Log: The RDC and PCS Q factor user functions now do nothing when data is missing rather than failing. A warning is given and the function now simply returns rather than crashing. Modified: 1.3/generic_fns/pcs.py 1.3/generic_fns/rdc.py Modified: 1.3/generic_fns/pcs.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/pcs.py?rev=12819&r1=12818&r2=12819&view=diff ============================================================================== --- 1.3/generic_fns/pcs.py (original) +++ 1.3/generic_fns/pcs.py Thu Mar 24 16:00:41 2011 @@ -1,6 +1,6 @@ ############################################################################### # # -# Copyright (C) 2003-2010 Edward d'Auvergne # +# Copyright (C) 2003-2011 Edward d'Auvergne # # # # This file is part of the program relax. # # # @@ -313,6 +313,11 @@ @keyword spin_id: The spin ID string used to restrict the Q-factor calculation to a subset of all spins. @type spin_id: None or str """ + + # No PCSs, so no Q factors can be calculated. + if not hasattr(cdp, 'pcs_ids') or not len(cdp.pcs_ids): + warn(RelaxWarning("No PCS data exists, Q factors cannot be calculated.")) + return # Q-factor list. cdp.q_factors_pcs = [] Modified: 1.3/generic_fns/rdc.py URL: http://svn.gna.org/viewcvs/relax/1.3/generic_fns/rdc.py?rev=12819&r1=12818&r2=12819&view=diff ============================================================================== --- 1.3/generic_fns/rdc.py (original) +++ 1.3/generic_fns/rdc.py Thu Mar 24 16:00:41 2011 @@ -1,6 +1,6 @@ ############################################################################### # # -# Copyright (C) 2003-2010 Edward d'Auvergne # +# Copyright (C) 2003-2011 Edward d'Auvergne # # # # This file is part of the program relax. # # # @@ -226,6 +226,11 @@ @keyword spin_id: The spin ID string used to restrict the Q-factor calculation to a subset of all spins. @type spin_id: None or str """ + + # No RDCs, so no Q factors can be calculated. + if not hasattr(cdp, 'rdc_ids') or not len(cdp.rdc_ids): + warn(RelaxWarning("No RDC data exists, Q factors cannot be calculated.")) + return # Q-factor list. cdp.q_factors_rdc = []