Author: bugman Date: Tue Dec 11 17:32:04 2007 New Revision: 4188 URL: http://svn.gna.org/viewcvs/relax?rev=4188&view=rev Log: Fixed the unit tests of the alignment tensor structure. The bond lengths were not being cubed! Modified: branches/N_state_model/test_suite/unit_tests/_data/test_align_tensor.py Modified: branches/N_state_model/test_suite/unit_tests/_data/test_align_tensor.py URL: http://svn.gna.org/viewcvs/relax/branches/N_state_model/test_suite/unit_tests/_data/test_align_tensor.py?rev=4188&r1=4187&r2=4188&view=diff ============================================================================== --- branches/N_state_model/test_suite/unit_tests/_data/test_align_tensor.py (original) +++ branches/N_state_model/test_suite/unit_tests/_data/test_align_tensor.py Tue Dec 11 17:32:04 2007 @@ -68,11 +68,11 @@ """ # The MC sim parameter values. - Sxx = 3.0/2.0 * -16.6278 / kappa() * 1.02e-10 - Syy = 3.0/2.0 * 6.13037 / kappa() * 1.02e-10 - Sxy = 3.0/2.0 * 7.65639 / kappa() * 1.02e-10 - Sxz = 3.0/2.0 * -1.89157 / kappa() * 1.02e-10 - Syz = 3.0/2.0 * 19.2561 / kappa() * 1.02e-10 + Sxx = 3.0/2.0 * -16.6278 / kappa() * 1.02e-10**3 + Syy = 3.0/2.0 * 6.13037 / kappa() * 1.02e-10**3 + Sxy = 3.0/2.0 * 7.65639 / kappa() * 1.02e-10**3 + Sxz = 3.0/2.0 * -1.89157 / kappa() * 1.02e-10**3 + Syz = 3.0/2.0 * 19.2561 / kappa() * 1.02e-10**3 # Set the MC sim alignment parameter lists. self.align_data.Sxx_sim = AlignTensorSimList('Sxx', self.align_data) @@ -128,11 +128,11 @@ """ # The parameter errors. - Sxx = 3.0/2.0 * 0.3 / kappa() * 1.02e-10 - Syy = 3.0/2.0 * 0.5 / kappa() * 1.02e-10 - Sxy = 3.0/2.0 * 0.4 / kappa() * 1.02e-10 - Sxz = 3.0/2.0 * 0.1 / kappa() * 1.02e-10 - Syz = 3.0/2.0 * 0.2 / kappa() * 1.02e-10 + Sxx = 3.0/2.0 * 0.3 / kappa() * 1.02e-10**3 + Syy = 3.0/2.0 * 0.5 / kappa() * 1.02e-10**3 + Sxy = 3.0/2.0 * 0.4 / kappa() * 1.02e-10**3 + Sxz = 3.0/2.0 * 0.1 / kappa() * 1.02e-10**3 + Syz = 3.0/2.0 * 0.2 / kappa() * 1.02e-10**3 # Set the diffusion parameters. self.align_data.Sxx_err = Sxx @@ -171,11 +171,11 @@ """ # The parameter values. - Sxx = 3.0/2.0 * -16.6278 / kappa() * 1.02e-10 - Syy = 3.0/2.0 * 6.13037 / kappa() * 1.02e-10 - Sxy = 3.0/2.0 * 7.65639 / kappa() * 1.02e-10 - Sxz = 3.0/2.0 * -1.89157 / kappa() * 1.02e-10 - Syz = 3.0/2.0 * 19.2561 / kappa() * 1.02e-10 + Sxx = 3.0/2.0 * -16.6278 / kappa() * 1.02e-10**3 + Syy = 3.0/2.0 * 6.13037 / kappa() * 1.02e-10**3 + Sxy = 3.0/2.0 * 7.65639 / kappa() * 1.02e-10**3 + Sxz = 3.0/2.0 * -1.89157 / kappa() * 1.02e-10**3 + Syz = 3.0/2.0 * 19.2561 / kappa() * 1.02e-10**3 # Set the diffusion parameters. self.align_data.Sxx = Sxx @@ -229,18 +229,18 @@ self.align_data.Syz_sim = AlignTensorSimList('Syz', self.align_data) # Append the initial values. - self.align_data.Sxx_sim.append(3.0/2.0 * -16.6278 / kappa() * 1.02e-10) - self.align_data.Syy_sim.append(3.0/2.0 * 6.13037 / kappa() * 1.02e-10) - self.align_data.Sxy_sim.append(3.0/2.0 * 7.65639 / kappa() * 1.02e-10) - self.align_data.Sxz_sim.append(3.0/2.0 * -1.89157 / kappa() * 1.02e-10) - self.align_data.Syz_sim.append(3.0/2.0 * 19.2561 / kappa() * 1.02e-10) + self.align_data.Sxx_sim.append(3.0/2.0 * -16.6278 / kappa() * 1.02e-10**3) + self.align_data.Syy_sim.append(3.0/2.0 * 6.13037 / kappa() * 1.02e-10**3) + self.align_data.Sxy_sim.append(3.0/2.0 * 7.65639 / kappa() * 1.02e-10**3) + self.align_data.Sxz_sim.append(3.0/2.0 * -1.89157 / kappa() * 1.02e-10**3) + self.align_data.Syz_sim.append(3.0/2.0 * 19.2561 / kappa() * 1.02e-10**3) # The new MC sim parameter values. - Sxx = 3.0/2.0 * 0.3 / kappa() * 1.02e-10 - Syy = 3.0/2.0 * 0.5 / kappa() * 1.02e-10 - Sxy = 3.0/2.0 * 0.4 / kappa() * 1.02e-10 - Sxz = 3.0/2.0 * 0.1 / kappa() * 1.02e-10 - Syz = 3.0/2.0 * 0.2 / kappa() * 1.02e-10 + Sxx = 3.0/2.0 * 0.3 / kappa() * 1.02e-10**3 + Syy = 3.0/2.0 * 0.5 / kappa() * 1.02e-10**3 + Sxy = 3.0/2.0 * 0.4 / kappa() * 1.02e-10**3 + Sxz = 3.0/2.0 * 0.1 / kappa() * 1.02e-10**3 + Syz = 3.0/2.0 * 0.2 / kappa() * 1.02e-10**3 # Set the MC sim parameter values (overwriting the initial values). self.align_data.Sxx_sim[0] = Sxx