Author: bugman
Date: Wed Nov 27 10:40:40 2013
New Revision: 21669
URL: http://svn.gna.org/viewcvs/relax?rev=21669&view=rev
Log:
Attempts at fixing and improving the Relax_disp.test_hansen_trunc_data GUI
test.
These changes have uncovered a spin ID updating problem in the relax data
store after calling the
residue.delete user function.
Modified:
trunk/test_suite/gui_tests/relax_disp.py
Modified: trunk/test_suite/gui_tests/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/gui_tests/relax_disp.py?rev=21669&r1=21668&r2=21669&view=diff
==============================================================================
--- trunk/test_suite/gui_tests/relax_disp.py (original)
+++ trunk/test_suite/gui_tests/relax_disp.py Wed Nov 27 10:40:40 2013
@@ -164,7 +164,7 @@
analysis.field_results_dir.SetValue(str_to_gui(ds.tmpdir))
# Load the sequence.
- file = data_path + 'fake_sequence.in_trunc'
+ file = data_path + 'fake_sequence.in'
self._execute_uf(uf_name='sequence.read', file=file,
mol_name_col=None, res_num_col=1, res_name_col=2, spin_name_col=None,
spin_num_col=None)
# Flush the interpreter in preparation for the synchronous user
functions of the peak list wizard.
@@ -178,44 +178,44 @@
# The spectral data - spectrum ID, peak list file name, CPMG
frequency (Hz), spectrometer frequency in Hertz.
data = [
- ['500_reference.in', '500_MHz'+sep+'reference.in_trunc',
None, 500e6],
- ['500_66.667.in', '500_MHz'+sep+'66.667.in_trunc',
66.6666, 500e6],
- ['500_133.33.in', '500_MHz'+sep+'133.33.in_trunc',
133.3333, 500e6],
- ['500_133.33.in.bis', '500_MHz'+sep+'133.33.in.bis_trunc',
133.3333, 500e6],
- ['500_200.in', '500_MHz'+sep+'200.in_trunc',
200.0000, 500e6],
- ['500_266.67.in', '500_MHz'+sep+'266.67.in_trunc',
266.6666, 500e6],
- ['500_333.33.in', '500_MHz'+sep+'333.33.in_trunc',
333.3333, 500e6],
- ['500_400.in', '500_MHz'+sep+'400.in_trunc',
400.0000, 500e6],
- ['500_466.67.in', '500_MHz'+sep+'466.67.in_trunc',
466.6666, 500e6],
- ['500_533.33.in', '500_MHz'+sep+'533.33.in_trunc',
533.3333, 500e6],
- ['500_533.33.in.bis', '500_MHz'+sep+'533.33.in.bis_trunc',
533.3333, 500e6],
- ['500_600.in', '500_MHz'+sep+'600.in_trunc',
600.0000, 500e6],
- ['500_666.67.in', '500_MHz'+sep+'666.67.in_trunc',
666.6666, 500e6],
- ['500_733.33.in', '500_MHz'+sep+'733.33.in_trunc',
733.3333, 500e6],
- ['500_800.in', '500_MHz'+sep+'800.in_trunc',
800.0000, 500e6],
- ['500_866.67.in', '500_MHz'+sep+'866.67.in_trunc',
866.6666, 500e6],
- ['500_933.33.in', '500_MHz'+sep+'933.33.in_trunc',
933.3333, 500e6],
- ['500_933.33.in.bis', '500_MHz'+sep+'933.33.in.bis_trunc',
933.3333, 500e6],
- ['500_1000.in', '500_MHz'+sep+'1000.in_trunc',
1000.0000, 500e6],
- ['800_reference.in', '800_MHz'+sep+'reference.in_trunc',
None, 800e6],
- ['800_66.667.in', '800_MHz'+sep+'66.667.in_trunc',
66.6666, 800e6],
- ['800_133.33.in', '800_MHz'+sep+'133.33.in_trunc',
133.3333, 800e6],
- ['800_133.33.in.bis', '800_MHz'+sep+'133.33.in.bis_trunc',
133.3333, 800e6],
- ['800_200.in', '800_MHz'+sep+'200.in_trunc',
200.0000, 800e6],
- ['800_266.67.in', '800_MHz'+sep+'266.67.in_trunc',
266.6666, 800e6],
- ['800_333.33.in', '800_MHz'+sep+'333.33.in_trunc',
333.3333, 800e6],
- ['800_400.in', '800_MHz'+sep+'400.in_trunc',
400.0000, 800e6],
- ['800_466.67.in', '800_MHz'+sep+'466.67.in_trunc',
466.6666, 800e6],
- ['800_533.33.in', '800_MHz'+sep+'533.33.in_trunc',
533.3333, 800e6],
- ['800_533.33.in.bis', '800_MHz'+sep+'533.33.in.bis_trunc',
533.3333, 800e6],
- ['800_600.in', '800_MHz'+sep+'600.in_trunc',
600.0000, 800e6],
- ['800_666.67.in', '800_MHz'+sep+'666.67.in_trunc',
666.6666, 800e6],
- ['800_733.33.in', '800_MHz'+sep+'733.33.in_trunc',
733.3333, 800e6],
- ['800_800.in', '800_MHz'+sep+'800.in_trunc',
800.0000, 800e6],
- ['800_866.67.in', '800_MHz'+sep+'866.67.in_trunc',
866.6666, 800e6],
- ['800_933.33.in', '800_MHz'+sep+'933.33.in_trunc',
933.3333, 800e6],
- ['800_933.33.in.bis', '800_MHz'+sep+'933.33.in.bis_trunc',
933.3333, 800e6],
- ['800_1000.in', '800_MHz'+sep+'1000.in_trunc',
1000.0000, 800e6]
+ ['500_reference.in', '500_MHz'+sep+'reference.in',
None, 500e6],
+ ['500_66.667.in', '500_MHz'+sep+'66.667.in',
66.6666, 500e6],
+ ['500_133.33.in', '500_MHz'+sep+'133.33.in',
133.3333, 500e6],
+ ['500_133.33.in.bis', '500_MHz'+sep+'133.33.in.bis',
133.3333, 500e6],
+ ['500_200.in', '500_MHz'+sep+'200.in',
200.0000, 500e6],
+ ['500_266.67.in', '500_MHz'+sep+'266.67.in',
266.6666, 500e6],
+ ['500_333.33.in', '500_MHz'+sep+'333.33.in',
333.3333, 500e6],
+ ['500_400.in', '500_MHz'+sep+'400.in',
400.0000, 500e6],
+ ['500_466.67.in', '500_MHz'+sep+'466.67.in',
466.6666, 500e6],
+ ['500_533.33.in', '500_MHz'+sep+'533.33.in',
533.3333, 500e6],
+ ['500_533.33.in.bis', '500_MHz'+sep+'533.33.in.bis',
533.3333, 500e6],
+ ['500_600.in', '500_MHz'+sep+'600.in',
600.0000, 500e6],
+ ['500_666.67.in', '500_MHz'+sep+'666.67.in',
666.6666, 500e6],
+ ['500_733.33.in', '500_MHz'+sep+'733.33.in',
733.3333, 500e6],
+ ['500_800.in', '500_MHz'+sep+'800.in',
800.0000, 500e6],
+ ['500_866.67.in', '500_MHz'+sep+'866.67.in',
866.6666, 500e6],
+ ['500_933.33.in', '500_MHz'+sep+'933.33.in',
933.3333, 500e6],
+ ['500_933.33.in.bis', '500_MHz'+sep+'933.33.in.bis',
933.3333, 500e6],
+ ['500_1000.in', '500_MHz'+sep+'1000.in',
1000.0000, 500e6],
+ ['800_reference.in', '800_MHz'+sep+'reference.in',
None, 800e6],
+ ['800_66.667.in', '800_MHz'+sep+'66.667.in',
66.6666, 800e6],
+ ['800_133.33.in', '800_MHz'+sep+'133.33.in',
133.3333, 800e6],
+ ['800_133.33.in.bis', '800_MHz'+sep+'133.33.in.bis',
133.3333, 800e6],
+ ['800_200.in', '800_MHz'+sep+'200.in',
200.0000, 800e6],
+ ['800_266.67.in', '800_MHz'+sep+'266.67.in',
266.6666, 800e6],
+ ['800_333.33.in', '800_MHz'+sep+'333.33.in',
333.3333, 800e6],
+ ['800_400.in', '800_MHz'+sep+'400.in',
400.0000, 800e6],
+ ['800_466.67.in', '800_MHz'+sep+'466.67.in',
466.6666, 800e6],
+ ['800_533.33.in', '800_MHz'+sep+'533.33.in',
533.3333, 800e6],
+ ['800_533.33.in.bis', '800_MHz'+sep+'533.33.in.bis',
533.3333, 800e6],
+ ['800_600.in', '800_MHz'+sep+'600.in',
600.0000, 800e6],
+ ['800_666.67.in', '800_MHz'+sep+'666.67.in',
666.6666, 800e6],
+ ['800_733.33.in', '800_MHz'+sep+'733.33.in',
733.3333, 800e6],
+ ['800_800.in', '800_MHz'+sep+'800.in',
800.0000, 800e6],
+ ['800_866.67.in', '800_MHz'+sep+'866.67.in',
866.6666, 800e6],
+ ['800_933.33.in', '800_MHz'+sep+'933.33.in',
933.3333, 800e6],
+ ['800_933.33.in.bis', '800_MHz'+sep+'933.33.in.bis',
933.3333, 800e6],
+ ['800_1000.in', '800_MHz'+sep+'1000.in',
1000.0000, 800e6]
]
# Replicated spectra.
@@ -238,7 +238,7 @@
# The spectrum.
for id, file, cpmg_frq, H_frq in data:
- wizard.setup_page(page='read', file=data_path+file,
spectrum_id=id, int_method='height', dim=1)
+ wizard.setup_page(page='read', file=data_path+file,
spectrum_id=id, int_method='height', int_col=2, mol_name_col=None,
res_num_col=1, res_name_col=None, spin_num_col=None, spin_name_col=None)
wizard._apply(None)
wizard._skip(None)
@@ -313,6 +313,16 @@
# Optimisation speedups.
analysis.opt_func_tol = 1e-5
analysis.opt_max_iterations = 1000
+
+ # Perform the error analysis.
+ self._execute_uf(uf_name='spectrum.error_analysis',
subset=['500_reference.in', '500_66.667.in', '500_133.33.in',
'500_133.33.in.bis', '500_200.in', '500_266.67.in', '500_333.33.in',
'500_400.in', '500_466.67.in', '500_533.33.in', '500_533.33.in.bis',
'500_600.in', '500_666.67.in', '500_733.33.in', '500_800.in',
'500_866.67.in', '500_933.33.in', '500_933.33.in.bis', '500_1000.in'])
+ self._execute_uf(uf_name='spectrum.error_analysis',
subset=['800_reference.in', '800_66.667.in', '800_133.33.in',
'800_133.33.in.bis', '800_200.in', '800_266.67.in', '800_333.33.in',
'800_400.in', '800_466.67.in', '800_533.33.in', '800_533.33.in.bis',
'800_600.in', '800_666.67.in', '800_733.33.in', '800_800.in',
'800_866.67.in', '800_933.33.in', '800_933.33.in.bis', '800_1000.in'])
+
+ # Delete all residues but :4, :70 and :71.
+ for i in range(1, 100):
+ if i in [4, 70, 71]:
+ continue
+ self._execute_uf(uf_name='residue.delete', res_id=":%s" % i)
# Execute relax.
analysis.execute(wx.CommandEvent(wx.wxEVT_COMMAND_BUTTON_CLICKED,
analysis.button_exec_relax.GetId()))
r21669 - /trunk/test_suite/gui_tests/relax_disp.py