Author: tlinnet
Date: Wed Apr 23 10:37:55 2014
New Revision: 22834
URL: http://svn.gna.org/viewcvs/relax?rev=22834&view=rev
Log:
Further extended systemtest
Relax_disp.test_sod1wt_t25_bug_21954_order_error_analysis.
Regarding bug #21954, (https://gna.org/bugs/index.php?21954) - Order of
spectrum.error_analysis is important.
Modified:
trunk/test_suite/system_tests/relax_disp.py
Modified: trunk/test_suite/system_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_disp.py?rev=22834&r1=22833&r2=22834&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_disp.py (original)
+++ trunk/test_suite/system_tests/relax_disp.py Wed Apr 23 10:37:55 2014
@@ -23,7 +23,7 @@
# Python module imports.
from os import F_OK, access, sep
-import re
+import re, math
from tempfile import mkdtemp
# relax module imports.
@@ -3404,6 +3404,10 @@
select_spin_index = range(0,1)
self.setup_sod1wt_t25(pipe_name=pipe_name, pipe_type=pipe_type,
pipe_name_r2eff=pipe_name_r2eff, select_spin_index=select_spin_index)
+ # Define replicated
+ repl_A = ['Z_A1', 'Z_A15']
+ repl_B = ['Z_B1', 'Z_B18']
+
# Loop over spectrum ID, and sort them
spectrum_ids_A = []
spectrum_ids_B = []
@@ -3413,50 +3417,57 @@
elif "B" in spectrum_id:
spectrum_ids_B.append(spectrum_id)
- # Loop over spin, first reset the error.
- for spin, mol_name, resi, resn, spin_id in spin_loop(full_info=True,
return_id=True, skip_desel=True):
- for id_A in spectrum_ids_A:
- spin.peak_intensity_err[id_A] = None
- for id_B in spectrum_ids_B:
- spin.peak_intensity_err[id_B] = None
+ # To clean up old error analysis, delete attributes
+ delattr(cdp, "var_I")
+ delattr(cdp, "sigma_I")
# Perform error analysis
self.interpreter.spectrum.error_analysis(subset=spectrum_ids_A)
self.interpreter.spectrum.error_analysis(subset=spectrum_ids_B)
- # Hold errors
+ # Loop over spins, save errors to list
Errors_A_B = []
for spin, mol_name, resi, resn, spin_id in spin_loop(full_info=True,
return_id=True, skip_desel=True):
A_err = spin.peak_intensity_err[spectrum_ids_A[0]]
B_err = spin.peak_intensity_err[spectrum_ids_B[0]]
Errors_A_B.append([A_err, B_err])
- # Reset errors
- for id_A in spectrum_ids_A:
- spin.peak_intensity_err[id_A] = None
- for id_B in spectrum_ids_B:
- spin.peak_intensity_err[id_B] = None
-
- # Perform error analysis
+
+ # To clean up old error analysis, delete attributes
+ delattr(cdp, "var_I")
+ delattr(cdp, "sigma_I")
+
+ # Perform error analysis. Order is important
self.interpreter.spectrum.error_analysis(subset=spectrum_ids_B)
self.interpreter.spectrum.error_analysis(subset=spectrum_ids_A)
- # Hold errors
+ # Loop over spins, save errors to list
Errors_B_A = []
for spin, mol_name, resi, resn, spin_id in spin_loop(full_info=True,
return_id=True, skip_desel=True):
A_err = spin.peak_intensity_err[spectrum_ids_A[0]]
B_err = spin.peak_intensity_err[spectrum_ids_B[0]]
Errors_B_A.append([A_err, B_err])
- # Reset errors
- for id_A in spectrum_ids_A:
- spin.peak_intensity_err[id_A] = None
- for id_B in spectrum_ids_B:
- spin.peak_intensity_err[id_B] = None
-
+
+ # Make test for order of error
for i in range(len(Errors_A_B)):
Error_A_B = Errors_A_B[i]
Error_B_A = Errors_B_A[i]
self.assertAlmostEqual(Error_A_B[0], Error_B_A[0], 4)
self.assertAlmostEqual(Error_A_B[1], Error_B_A[1], 4)
+
+ # Make further tests for fixed values
+ std_A = math.sqrt((cdp.var_I[repl_A[0]] + cdp.var_I[repl_A[1]])/2)
+ std_A_fix = 2785.7263335738567
+
+ for id_A in spectrum_ids_A:
+ self.assertEqual(cdp.sigma_I[id_A], std_A)
+ self.assertAlmostEqual(cdp.sigma_I[id_A], std_A_fix, 7)
+
+ std_B = math.sqrt((cdp.var_I[repl_B[0]] + cdp.var_I[repl_B[1]])/2)
+ std_B_fix = 4967.3772030667988
+
+ for id_B in spectrum_ids_B:
+ self.assertEqual(cdp.sigma_I[id_B], std_B)
+ self.assertAlmostEqual(cdp.sigma_I[id_B], std_B_fix, 7)
def test_sod1wt_t25_to_cr72(self):
r22834 - /trunk/test_suite/system_tests/relax_disp.py