Author: bugman Date: Wed Sep 24 14:36:39 2014 New Revision: 26010 URL: http://svn.gna.org/viewcvs/relax?rev=26010&view=rev Log: Updated all of the chi2 value checks for the Frame_order.test_cam_quad_int_* system tests. This is only for those tests which use PCS data - the RDC only test chi2 values are the same as in the Frame_order.test_cam_qr_int_* system tests. In all cases, the chi2 value is lower for the more accurate SciPy quadratic integration as compared to the quasi-random Sobol' integration, as expected. Modified: branches/frame_order_cleanup/test_suite/system_tests/frame_order.py Modified: branches/frame_order_cleanup/test_suite/system_tests/frame_order.py URL: http://svn.gna.org/viewcvs/relax/branches/frame_order_cleanup/test_suite/system_tests/frame_order.py?rev=26010&r1=26009&r2=26010&view=diff ============================================================================== --- branches/frame_order_cleanup/test_suite/system_tests/frame_order.py (original) +++ branches/frame_order_cleanup/test_suite/system_tests/frame_order.py Wed Sep 24 14:36:39 2014 @@ -1029,7 +1029,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(quad_int=True) self.interpreter.run(script_file=self.cam_path+'free_rotor.py') - self.check_chi2(0.049488502147038226) + self.check_chi2(0.04899586148178818) def test_cam_quad_int_free_rotor_missing_data(self): @@ -1038,7 +1038,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(quad_int=True) self.interpreter.run(script_file=self.cam_path+'free_rotor_missing_data.py') - self.check_chi2(0.038106832800436169) + self.check_chi2(0.037726306126177556) def test_cam_quad_int_free_rotor_pcs(self): @@ -1047,7 +1047,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(rdc=False, quad_int=True) self.interpreter.run(script_file=self.cam_path+'free_rotor.py') - self.check_chi2(0.00049268587082683434) + self.check_chi2(4.5205576772581238e-08) def test_cam_quad_int_free_rotor_rdc(self): @@ -1065,7 +1065,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(quad_int=True) self.interpreter.run(script_file=self.cam_path+'free_rotor2.py') - self.check_chi2(0.069952611688108693) + self.check_chi2(0.06748978555251639) def test_cam_quad_int_free_rotor2_pcs(self): @@ -1074,7 +1074,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(rdc=False, quad_int=True) self.interpreter.run(script_file=self.cam_path+'free_rotor2.py') - self.check_chi2(0.013207545726879745) + self.check_chi2(0.010744719591287448) def test_cam_quad_int_free_rotor2_rdc(self): @@ -1092,7 +1092,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(quad_int=True) self.interpreter.run(script_file=self.cam_path+'iso_cone.py') - self.check_chi2(0.046263256206108584) + self.check_chi2(0.041430522432421318) def test_cam_quad_int_iso_cone_pcs(self): @@ -1101,7 +1101,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(rdc=False, quad_int=True) self.interpreter.run(script_file=self.cam_path+'iso_cone.py') - self.check_chi2(0.010223404689484922) + self.check_chi2(4.8409613144085089e-08) def test_cam_quad_int_iso_cone_rdc(self): @@ -1119,7 +1119,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(quad_int=True) self.interpreter.run(script_file=self.cam_path+'iso_cone_free_rotor.py') - self.check_chi2(0.013068834561396353) + self.check_chi2(0.01098760442625833) def test_cam_quad_int_iso_cone_free_rotor_pcs(self): @@ -1128,7 +1128,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(rdc=False, quad_int=True) self.interpreter.run(script_file=self.cam_path+'iso_cone_free_rotor.py') - self.check_chi2(0.0020824314952301057) + self.check_chi2(1.20136009208203e-06) def test_cam_quad_int_iso_cone_free_rotor_rdc(self): @@ -1146,7 +1146,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(quad_int=True) self.interpreter.run(script_file=self.cam_path+'iso_cone_free_rotor2.py') - self.check_chi2(0.13135988423081582) + self.check_chi2(0.027527295381115289) def test_cam_quad_int_iso_cone_free_rotor2_pcs(self): @@ -1155,7 +1155,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(rdc=False, quad_int=True) self.interpreter.run(script_file=self.cam_path+'iso_cone_free_rotor2.py') - self.check_chi2(0.12580093734874642) + self.check_chi2(0.021968348499045869) def test_cam_quad_int_iso_cone_free_rotor2_rdc(self): @@ -1173,7 +1173,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(quad_int=True) self.interpreter.run(script_file=self.cam_path+'iso_cone_torsionless.py') - self.check_chi2(0.058320273132310863) + self.check_chi2(0.048766438238093554) def test_cam_quad_int_iso_cone_torsionless_pcs(self): @@ -1182,7 +1182,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(rdc=False, quad_int=True) self.interpreter.run(script_file=self.cam_path+'iso_cone_torsionless.py') - self.check_chi2(0.0095766977930929302) + self.check_chi2(2.2862898875626613e-05) def test_cam_quad_int_iso_cone_torsionless_rdc(self): @@ -1200,7 +1200,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(quad_int=True) self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse.py') - self.check_chi2(0.052923535071890106) + self.check_chi2(0.033007827805689761) def test_cam_quad_int_pseudo_ellipse_pcs(self): @@ -1209,7 +1209,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(rdc=False, quad_int=True) self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse.py') - self.check_chi2(0.025487205467282097) + self.check_chi2(1.534188648468986e-07) def test_cam_quad_int_pseudo_ellipse_rdc(self): @@ -1227,7 +1227,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(quad_int=True) self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse2.py') - self.check_chi2(0.041445854907868764) + self.check_chi2(0.018129059824815268) def test_cam_quad_int_pseudo_ellipse2_pcs(self): @@ -1236,7 +1236,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(rdc=False, quad_int=True) self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse2.py') - self.check_chi2(0.02331739779637744) + self.check_chi2(6.0271332394266001e-07) def test_cam_quad_int_pseudo_ellipse2_rdc(self): @@ -1254,7 +1254,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(quad_int=True) self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse_free_rotor.py') - self.check_chi2(0.07886558371162268) + self.check_chi2(0.039974493838723132) def test_cam_quad_int_pseudo_ellipse_free_rotor_pcs(self): @@ -1263,7 +1263,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(rdc=False, quad_int=True) self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse_free_rotor.py') - self.check_chi2(0.038891355121051734) + self.check_chi2(2.6524815218336224e-07) def test_cam_quad_int_pseudo_ellipse_free_rotor_rdc(self): @@ -1272,7 +1272,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(pcs=False, quad_int=True) self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse_free_rotor.py') - self.check_chi2(0.036975308912984388) + self.check_chi2(0.039974228590570947) def test_cam_quad_int_pseudo_ellipse_torsionless(self): @@ -1281,7 +1281,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(quad_int=True) self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse_torsionless.py') - self.check_chi2(0.018922576784401186) + self.check_chi2(0.014945243556224312) def test_cam_quad_int_pseudo_ellipse_torsionless_pcs(self): @@ -1290,7 +1290,7 @@ # The flags, execute the script, and then check the chi2 value. self.flags(rdc=False, quad_int=True) self.interpreter.run(script_file=self.cam_path+'pseudo_ellipse_torsionless.py') - self.check_chi2(0.003977725835776093) + self.check_chi2(3.9260759922047933e-07) def test_cam_quad_int_pseudo_ellipse_torsionless_rdc(self):