Author: bugman Date: Sat Aug 7 21:31:05 2010 New Revision: 11434 URL: http://svn.gna.org/viewcvs/relax?rev=11434&view=rev Log: Created maths_fns.order_parameters.iso_cone_theta_to_S() function for angle to order param conversion. Modified: 1.3/maths_fns/order_parameters.py Modified: 1.3/maths_fns/order_parameters.py URL: http://svn.gna.org/viewcvs/relax/1.3/maths_fns/order_parameters.py?rev=11434&r1=11433&r2=11434&view=diff ============================================================================== --- 1.3/maths_fns/order_parameters.py (original) +++ 1.3/maths_fns/order_parameters.py Sat Aug 7 21:31:05 2010 @@ -23,6 +23,29 @@ # Module docstring. """Module for the conversion of order parameters to specific model parameters and vice versa.""" +# Python module imports. +from math import cos + + +def iso_cone_theta_to_S(theta): + """Convert the isotropic cone angle to the order parameter S. + + This uses Woessner's diffusion in a cone order parameter defined as:: + + S = 1/2 (1 + cos(theta)) * cos(theta) + + @param theta: The isotropic cone angle. + @type theta: float + @return: The order parameter value. + @rtype: float + """ + + # Convert. + S = 0.5 * (1.0 + cos(theta)) * cos(theta) + + # Return the order parameter. + return S + def iso_cone_S_to_cos_theta(S): """Convert the isotropic cone order parameter S into the cosine of the cone angle.