Author: tlinnet
Date: Thu Sep 11 21:31:45 2014
New Revision: 25757
URL: http://svn.gna.org/viewcvs/relax?rev=25757&view=rev
Log:
In the systemtest Relax_fit.test_curve_fitting_height_estimate_error(), moved
the auto-detection of replicated spectra
into the manual method.
This is to prepare for auto-mated detection of replicates.
Modified:
trunk/test_suite/system_tests/relax_fit.py
Modified: trunk/test_suite/system_tests/relax_fit.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/system_tests/relax_fit.py?rev=25757&r1=25756&r2=25757&view=diff
==============================================================================
--- trunk/test_suite/system_tests/relax_fit.py (original)
+++ trunk/test_suite/system_tests/relax_fit.py Thu Sep 11 21:31:45 2014
@@ -276,54 +276,6 @@
# Set the relaxation times.
self.interpreter.relax_fit.relax_time(time=time,
spectrum_id=sname)
- # Collect all times, and matching spectrum id.
- all_times = []
- all_id = []
- for s_id, time in cdp.relax_times.iteritems():
- all_times.append(time)
- all_id.append(s_id)
-
- # Get the dublicates.
- dublicates = map(lambda val: (val, [i for i in
xrange(len(all_times)) if all_times[i] == val]), all_times)
-
- # Loop over the list of the mapping of times and duplications.
- list_dub_mapping = []
- for i, dub in enumerate(dublicates):
- # Get current spectum id.
- cur_spectrum_id = all_id[i]
-
- # Get the tuple of time and indexes of duplications.
- time, list_index_occur = dub
-
- # Collect mapping of index to id.
- id_list = []
- if len(list_index_occur) > 1:
- for list_index in list_index_occur:
- id_list.append(all_id[list_index])
-
- # Store to list
- list_dub_mapping.append((cur_spectrum_id, id_list))
-
- # Assign dublicates.
- for spectrum_id, dub_pair in list_dub_mapping:
- print spectrum_id, dub_pair
- if len(dub_pair) > 0:
- self.interpreter.spectrum.replicated(spectrum_ids=dub_pair)
-
- # Test the number of replicates stored in cdp, is 4.
- self.assertEqual(len(cdp.replicates), 4)
-
- # Cannot test, since dictionary have no order.
- #test_rep = [['T2_ncyc1_ave', 'T2_ncyc1b_ave'],
- # ['T2_ncyc4_ave', 'T2_ncyc4b_ave'],
- # ['T2_ncyc9b_ave', 'T2_ncyc9_ave'],
- # ['T2_ncyc11_ave', 'T2_ncyc11b_ave']]
-
- #for i, rep in enumerate(cdp.replicates):
- # test_rep_i = test_rep[i]
- # print(rep, test_rep_i)
- # self.assertEqual(rep, test_rep_i)
-
self.interpreter.deselect.spin(':3,11,18,19,23,31,42,44,54,66,82,92,94,99,101,113,124,126,136,141,145,147,332,345,346,358,361')
GRID_INC = 11
@@ -337,10 +289,50 @@
self.interpreter.deselect.spin(':512@ND2')
# Do automatic
- if False:
+ if True:
relax_fit.Relax_fit(pipe_name=pipe_name,
pipe_bundle=pipe_bundle, file_root='R2', results_dir=results_dir,
grid_inc=GRID_INC, mc_sim_num=MC_SIM, view_plots=False)
else:
+ # Prepare for finding dublictes.
+
+ # Collect all times, and matching spectrum id.
+ all_times = []
+ all_id = []
+ for s_id, time in cdp.relax_times.iteritems():
+ all_times.append(time)
+ all_id.append(s_id)
+
+ # Get the dublicates.
+ dublicates = map(lambda val: (val, [i for i in
xrange(len(all_times)) if all_times[i] == val]), all_times)
+
+ # Loop over the list of the mapping of times and duplications.
+ list_dub_mapping = []
+ for i, dub in enumerate(dublicates):
+ # Get current spectum id.
+ cur_spectrum_id = all_id[i]
+
+ # Get the tuple of time and indexes of duplications.
+ time, list_index_occur = dub
+
+ # Collect mapping of index to id.
+ id_list = []
+ if len(list_index_occur) > 1:
+ for list_index in list_index_occur:
+ id_list.append(all_id[list_index])
+
+ # Store to list
+ list_dub_mapping.append((cur_spectrum_id, id_list))
+
+ # Assign dublicates.
+ for spectrum_id, dub_pair in list_dub_mapping:
+ print spectrum_id, dub_pair
+ if len(dub_pair) > 0:
+
self.interpreter.spectrum.replicated(spectrum_ids=dub_pair)
+
+ # Test the number of replicates stored in cdp, is 4.
+ self.assertEqual(len(cdp.replicates), 4)
+
+
# Peak intensity error analysis.
self.interpreter.spectrum.error_analysis()
r25757 - /trunk/test_suite/system_tests/relax_fit.py