Author: bugman Date: Fri Feb 3 12:17:21 2012 New Revision: 15297 URL: http://svn.gna.org/viewcvs/relax?rev=15297&view=rev Log: Fixes for all of the free-rotor frame order models - the sigma angle needs to be sampled! Modified: branches/frame_order_testing/maths_fns/frame_order.py Modified: branches/frame_order_testing/maths_fns/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order.py?rev=15297&r1=15296&r2=15297&view=diff ============================================================================== --- branches/frame_order_testing/maths_fns/frame_order.py (original) +++ branches/frame_order_testing/maths_fns/frame_order.py Fri Feb 3 12:17:21 2012 @@ -279,7 +279,7 @@ self.create_sobol_data(n=self.num_int_pts, dims=['theta', 'phi']) self.func = self.func_pseudo_ellipse_torsionless_qrint elif model == 'pseudo-ellipse, free rotor': - self.create_sobol_data(n=self.num_int_pts, dims=['theta', 'phi']) + self.create_sobol_data(n=self.num_int_pts, dims=['theta', 'phi', 'sigma']) self.func = self.func_pseudo_ellipse_free_rotor_qrint elif model == 'iso cone': self.create_sobol_data(n=self.num_int_pts, dims=['theta', 'sigma']) @@ -288,7 +288,7 @@ self.create_sobol_data(n=self.num_int_pts, dims=['theta']) self.func = self.func_iso_cone_torsionless_qrint elif model == 'iso cone, free rotor': - self.create_sobol_data(n=self.num_int_pts, dims=['theta']) + self.create_sobol_data(n=self.num_int_pts, dims=['theta', 'sigma']) self.func = self.func_iso_cone_free_rotor_qrint elif model == 'line': self.create_sobol_data(n=self.num_int_pts, dims=['theta', 'sigma']) @@ -297,7 +297,7 @@ self.create_sobol_data(n=self.num_int_pts, dims=['theta']) self.func = self.func_line_torsionless_qrint elif model == 'line, free rotor': - self.create_sobol_data(n=self.num_int_pts, dims=['theta']) + self.create_sobol_data(n=self.num_int_pts, dims=['theta', 'sigma']) self.func = self.func_line_free_rotor_qrint elif model == 'rotor': self.create_sobol_data(n=self.num_int_pts, dims=['sigma']) @@ -305,6 +305,7 @@ elif model == 'rigid': self.func = self.func_rigid elif model == 'free rotor': + self.create_sobol_data(n=self.num_int_pts, dims=['sigma']) self.func = self.func_free_rotor_qrint # The target function aliases (Scipy numerical integration).