Author: bugman Date: Wed Nov 14 11:53:58 2012 New Revision: 17965 URL: http://svn.gna.org/viewcvs/relax?rev=17965&view=rev Log: Reverted r17954 as this is fatal for all the other frame order models. The command used was: svn merge -r17954:r17953 . Modified: branches/frame_order_testing/maths_fns/frame_order/__init__.py branches/frame_order_testing/maths_fns/frame_order/matrix_ops.py Modified: branches/frame_order_testing/maths_fns/frame_order/__init__.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order/__init__.py?rev=17965&r1=17964&r2=17965&view=diff ============================================================================== --- branches/frame_order_testing/maths_fns/frame_order/__init__.py (original) +++ branches/frame_order_testing/maths_fns/frame_order/__init__.py Wed Nov 14 11:53:58 2012 @@ -51,7 +51,8 @@ from maths_fns.kronecker_product import kron_prod from maths_fns import order_parameters from maths_fns.pcs import pcs_tensor -from maths_fns.rotation_matrix import euler_to_R_zyz, tilt_torsion_to_R, two_vect_to_R +from maths_fns.rotation_matrix import euler_to_R_zyz +from maths_fns.rotation_matrix import two_vect_to_R from maths_fns.rdc import rdc_tensor from multi import fetch_data, Processor_box from physical_constants import pcs_constant @@ -333,14 +334,6 @@ self.create_sobol_data(n=self.num_int_pts, dims=['sigma']) self.func = self.func_free_rotor_qrint - # Pre-calculate the rotation matrices Ri_prime from the Sobol' angles. - for i in range(self.num_int_pts): - # Unpack the angles. - theta, phi, sigma = self.sobol_angles[i] - - # The rotation matrix. - tilt_torsion_to_R(phi, theta, sigma, self.Ri_prime[i]) - # Subdivide the Sobol' data points for the slave processors. blocks_sobol = [] for block in self.subdivide(self.sobol_angles, self.processor.processor_size()): Modified: branches/frame_order_testing/maths_fns/frame_order/matrix_ops.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_testing/maths_fns/frame_order/matrix_ops.py?rev=17965&r1=17964&r2=17965&view=diff ============================================================================== --- branches/frame_order_testing/maths_fns/frame_order/matrix_ops.py (original) +++ branches/frame_order_testing/maths_fns/frame_order/matrix_ops.py Wed Nov 14 11:53:58 2012 @@ -29,6 +29,7 @@ # relax module imports. from maths_fns.kronecker_product import transpose_23 +from maths_fns.rotation_matrix import tilt_torsion_to_R def daeg_to_rotational_superoperator(daeg, Rsuper): @@ -180,6 +181,9 @@ @keyword error_flag: A flag which if True will cause the PCS errors to be estimated and stored in pcs_theta_err. @type error_flag: bool """ + + # The rotation matrix. + tilt_torsion_to_R(phi_i, theta_i, sigma_i, Ri_prime) # The rotation. R_i = dot(R_eigen, dot(Ri_prime, RT_eigen))