Author: bugman Date: Mon Feb 2 10:51:17 2009 New Revision: 8712 URL: http://svn.gna.org/viewcvs/relax?rev=8712&view=rev Log: Added the start of the calculate() method. Modified: branches/ave_noe/specific_fns/n_state_model.py Modified: branches/ave_noe/specific_fns/n_state_model.py URL: http://svn.gna.org/viewcvs/relax/branches/ave_noe/specific_fns/n_state_model.py?rev=8712&r1=8711&r2=8712&view=diff ============================================================================== --- branches/ave_noe/specific_fns/n_state_model.py (original) +++ branches/ave_noe/specific_fns/n_state_model.py Mon Feb 2 10:51:17 2009 @@ -1,6 +1,6 @@ ############################################################################### # # -# Copyright (C) 2007-2008 Edward d'Auvergne # +# Copyright (C) 2007-2009 Edward d'Auvergne # # # # This file is part of the program relax. # # # @@ -871,6 +871,26 @@ if not exists: generic_fns.align_tensor.init(tensor=id, params=[0.0, 0.0, 0.0, 0.0, 0.0]) + + def calculate(self, verbosity=1): + """Calculation function. + + Currently this function simply calculates the NOESY flat-bottom quadratic energy potential, + if NOE restraints are available. + + @param verbosity: A flag specifying the amount of information to print. The higher + the value, the greater the verbosity. + @type verbosity: int + """ + + # Alias the current data pipe. + cdp = pipes.get_pipe() + + # Test if the N-state model has been set up. + if not hasattr(cdp, 'model'): + raise RelaxNoModelError, 'N-state' + + def CoM(self, pivot_point=None, centre=None): """Centre of mass analysis.