Author: tlinnet Date: Thu Jun 12 12:13:01 2014 New Revision: 23866 URL: http://svn.gna.org/viewcvs/relax?rev=23866&view=rev Log: Changed unit-tests, to send in the original R20A, R20B and dw_orig to the testing of the lib function CR72. Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion models for Clustered analysis. Modified: branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72.py branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72_full_cluster_one_field.py branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72_full_cluster_three_fields.py Modified: branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72.py?rev=23866&r1=23865&r2=23866&view=diff ============================================================================== --- branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72.py (original) +++ branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72.py Thu Jun 12 12:13:01 2014 @@ -60,8 +60,15 @@ # Convert to array. a = ones([self.num_points]) + r20a=self.r20a*a + r20a_orig=r20a + r20b=self.r20b*a + r20b_orig=r20b + dw=dw_frq*a + dw_orig=dw_frq*a + # Calculate the R2eff values. - r2eff_CR72(r20a=self.r20a*a, r20b=self.r20b*a, pA=self.pA, dw=dw_frq*a, kex=self.kex, cpmg_frqs=self.cpmg_frqs, back_calc=self.R2eff, num_points=self.num_points) + r2eff_CR72(r20a=r20a, r20a_orig=r20a_orig, r20b=r20b, r20b_orig=r20b_orig, pA=self.pA, dw=dw, dw_orig=dw_orig, kex=self.kex, cpmg_frqs=self.cpmg_frqs, back_calc=self.R2eff, num_points=self.num_points) # Check all R2eff values. for i in range(self.num_points): Modified: branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72_full_cluster_one_field.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72_full_cluster_one_field.py?rev=23866&r1=23865&r2=23866&view=diff ============================================================================== --- branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72_full_cluster_one_field.py (original) +++ branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72_full_cluster_one_field.py Thu Jun 12 12:13:01 2014 @@ -165,7 +165,7 @@ self.dw_frq_a[0][si][mi][0] = array( [dw_frq] * self.max_num_disp_points, float64) ## Back calculate the R2eff values. - r2eff_CR72(r20a=self.R20A_a, r20b=self.R20B_a, pA=pA, dw=self.dw_frq_a, kex=kex, cpmg_frqs=self.cpmg_frqs_a, back_calc=self.back_calc_a, num_points=self.num_disp_points_a) + r2eff_CR72(r20a_orig=self.R20A_a, r20b_orig=self.R20B_a, dw_orig=self.dw_frq_a, r20a=self.R20A_a, r20b=self.R20B_a, pA=pA, dw=self.dw_frq_a, kex=kex, cpmg_frqs=self.cpmg_frqs_a, back_calc=self.back_calc_a, num_points=self.num_disp_points_a) # Now return the values back to the structure of self.back_calc object. ## For all missing data points, set the back-calculated value to the measured values so that it has no effect on the chi-squared value. Modified: branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72_full_cluster_three_fields.py URL: http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72_full_cluster_three_fields.py?rev=23866&r1=23865&r2=23866&view=diff ============================================================================== --- branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72_full_cluster_three_fields.py (original) +++ branches/disp_spin_speed/test_suite/unit_tests/_lib/_dispersion/test_cr72_full_cluster_three_fields.py Thu Jun 12 12:13:01 2014 @@ -165,7 +165,7 @@ self.dw_frq_a[0][si][mi][0] = array( [dw_frq] * self.max_num_disp_points, float64) ## Back calculate the R2eff values. - r2eff_CR72(r20a=self.R20A_a, r20b=self.R20B_a, pA=pA, dw=self.dw_frq_a, kex=kex, cpmg_frqs=self.cpmg_frqs_a, back_calc=self.back_calc_a, num_points=self.num_disp_points_a) + r2eff_CR72(r20a_orig=self.R20A_a, r20b_orig=self.R20B_a, dw_orig=self.dw_frq_a, r20a=self.R20A_a, r20b=self.R20B_a, pA=pA, dw=self.dw_frq_a, kex=kex, cpmg_frqs=self.cpmg_frqs_a, back_calc=self.back_calc_a, num_points=self.num_disp_points_a) # Now return the values back to the structure of self.back_calc object. ## For all missing data points, set the back-calculated value to the measured values so that it has no effect on the chi-squared value.