Author: bugman
Date: Mon Feb 24 14:58:10 2014
New Revision: 22286
URL: http://svn.gna.org/viewcvs/relax?rev=22286&view=rev
Log:
Merged revisions 22283-22285 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk
........
r22283 | tlinnet | 2014-02-24 14:20:41 +0100 (Mon, 24 Feb 2014) | 7 lines
Added unit test for looping over: exp, frq, offset, point, time.
Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG
analysis with two fields at two delay times.
This unit test will fail, since the last loop over the time points has a
weak assumption just to loop over all time points,
instead of checking for existence of such time point.
This unit test follows recommendation in thread:
http://thread.gmane.org/gmane.science.nmr.relax.devel/5070.
........
r22284 | tlinnet | 2014-02-24 14:20:43 +0100 (Mon, 24 Feb 2014) | 3 lines
Expanded the loop_time function to optional take the spectrometer frequency
as input for restricting looping.
Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG
analysis with two fields at two delay times.
........
r22285 | tlinnet | 2014-02-24 14:20:45 +0100 (Mon, 24 Feb 2014) | 3 lines
Replaced print commands to be compatible with Python 3.x
Regarding bug #21665, (https://gna.org/bugs/?21665) - Running a CPMG
analysis with two fields at two delay times.
........
Modified:
branches/double_rotor/ (props changed)
branches/double_rotor/specific_analyses/relax_disp/disp_data.py
branches/double_rotor/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py
Propchange: branches/double_rotor/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Mon Feb 24 14:58:10 2014
@@ -1,1 +1,1 @@
-/trunk:1-22281
+/trunk:1-22285
Modified: branches/double_rotor/specific_analyses/relax_disp/disp_data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/specific_analyses/relax_disp/disp_data.py?rev=22286&r1=22285&r2=22286&view=diff
==============================================================================
--- branches/double_rotor/specific_analyses/relax_disp/disp_data.py (original)
+++ branches/double_rotor/specific_analyses/relax_disp/disp_data.py Mon Feb
24 14:58:10 2014
@@ -873,7 +873,7 @@
# Then the dispersion points.
for point, di in loop_point(exp_type=exp_type, frq=frq,
offset=offset, return_indices=True):
# Finally the relaxation times.
- for time, ti in loop_time(return_indices=True):
+ for time, ti in loop_time(frq=frq, return_indices=True):
# Yield the data.
if return_indices:
yield exp_type, frq, offset, point, time, ei,
mi, oi, di, ti
@@ -1281,9 +1281,13 @@
yield id
-def loop_time(return_indices=False):
+def loop_time(exp_type=None, frq=None, return_indices=False):
"""Generator method for looping over the relaxation times.
+ @keyword exp_type: The experiment type.
+ @type exp_type: str
+ @keyword frq: The spectrometer frequency in Hz.
+ @type frq: float
@keyword return_indices: A flag which if True will cause the
relaxation time index to be returned as well.
@type return_indices: bool
@return: The relaxation time.
@@ -1296,6 +1300,28 @@
# Loop over the time points.
if hasattr(cdp, 'relax_time_list'):
for time in cdp.relax_time_list:
+ # Find a matching experiment ID.
+ found = False
+ for id in cdp.exp_type.keys():
+ # Skip non-matching experiments.
+ if exp_type != None and cdp.exp_type[id] != exp_type:
+ continue
+
+ # Skip non-matching spectrometer frequencies.
+ if frq != None and hasattr(cdp, 'spectrometer_frq') and
cdp.spectrometer_frq[id] != frq:
+ continue
+
+ if time != cdp.relax_times[id]:
+ continue
+
+ # Found.
+ found = True
+ break
+
+ # No data.
+ if not found:
+ continue
+
# Increment the index.
ti += 1
Modified:
branches/double_rotor/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py
URL:
http://svn.gna.org/viewcvs/relax/branches/double_rotor/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py?rev=22286&r1=22285&r2=22286&view=diff
==============================================================================
---
branches/double_rotor/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py
(original)
+++
branches/double_rotor/test_suite/unit_tests/_specific_analyses/_relax_disp/test_disp_data.py
Mon Feb 24 14:58:10 2014
@@ -66,7 +66,7 @@
print("Checking the number of iterations of the loop.")
count = 0
for exp_type, frq, ei, mi in loop_exp_frq(return_indices=True):
- print exp_type, frq, ei, mi
+ print(exp_type, frq, ei, mi)
count += 1
self.assertEqual(count, 2)
@@ -112,7 +112,7 @@
print("Checking the number of iterations of the loop.")
count = 0
for exp_type, frq, offset, ei, mi, oi in
loop_exp_frq_offset(return_indices=True):
- print exp_type, frq, offset, ei, mi, oi
+ print(exp_type, frq, offset, ei, mi, oi)
count += 1
self.assertEqual(count, 2)
@@ -162,7 +162,7 @@
print("Checking the number of iterations of the loop.")
count = 0
for exp_type, frq, offset, point, ei, mi, oi, di in
loop_exp_frq_offset_point(return_indices=True):
- print exp_type, frq, offset, point, ei, mi, oi, di
+ print(exp_type, frq, offset, point, ei, mi, oi, di)
count += 1
self.assertEqual(count, 34)
@@ -186,6 +186,69 @@
# Check the dispersion point info.
self.assertAlmostEqual(point, data[frq_index][3][disp_index],2)
self.assertEqual(di, indices[frq_index][3][disp_index])
+
+ # Increment the data index.
+ if disp_index == 16:
+ frq_index += 1
+ disp_index = 0
+ else:
+ disp_index += 1
+
+
+ def test_loop_exp_frq_offset_point_time(self):
+ """Unit test of the loop_exp_frq_offset_point_time() function.
+
+ This uses the data of the saved state attached to U{bug
#21665<https://gna.org/bugs/?21665>}.
+ """
+
+ # Load the state.
+ statefile = status.install_path +
sep+'test_suite'+sep+'shared_data'+sep+'dispersion'+sep+'bug_21665.bz2'
+ state.load_state(statefile, force=True)
+
+ # Original data (exp_type, frq, offset, point).
+ data = [
+ ['SQ CPMG', 499862140.0, 0, [50.0, 100.0, 150.0, 200.0, 250.0,
300.0, 350.0, 400.0, 450.0, 500.0, 550.0, 600.0, 650.0, 700.0, 800.0, 900.0,
1000.0],0.04],
+ ['SQ CPMG', 599890858.69999993, 0, [33.3333, 66.666, 100.0,
133.333, 166.666, 200.0, 233.333, 266.666, 300.0, 333.333, 366.666, 400.0,
466.666, 533.333, 666.666, 866.666, 1000.0],0.06]
+ ]
+
+ # Original indices (ei, mi, oi).
+ indices = [
+ [0, 0, 0, [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15,
16], 0],
+ [0, 1, 0, [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15,
16], 1]
+ ]
+
+ # Check the number of iterations.
+ print("Checking the number of iterations of the loop.")
+ count = 0
+ for exp_type, frq, offset, point, time, ei, mi, oi, di, ti in
loop_exp_frq_offset_point_time(return_indices=True):
+ print(exp_type, frq, offset, point, time, ei, mi, oi, di, ti)
+ count += 1
+ self.assertEqual(count, 34)
+
+ # Check the values.
+ print("Checking the values returned by the loop.")
+ frq_index = 0
+ disp_index = 0
+ for exp_type, frq, offset, point, time, ei, mi, oi, di, ti in
loop_exp_frq_offset_point_time(return_indices=True):
+ # Check the experiment info.
+ self.assertEqual(exp_type, data[frq_index][0])
+ self.assertEqual(ei, indices[frq_index][0])
+
+ # Check the frequency info.
+ self.assertEqual(frq, data[frq_index][1])
+ self.assertEqual(mi, indices[frq_index][1])
+
+ # Check the offset info.
+ self.assertEqual(offset, data[frq_index][2])
+ self.assertEqual(oi, indices[frq_index][2])
+
+ # Check the dispersion point info.
+ self.assertAlmostEqual(point, data[frq_index][3][disp_index],2)
+ self.assertEqual(di, indices[frq_index][3][disp_index])
+
+ # Check the time point info.
+ self.assertEqual(time, data[frq_index][4])
+ self.assertEqual(ti, indices[frq_index][4])
# Increment the data index.
if disp_index == 16:
r22286 - in /branches/double_rotor: ./ specific_analyses/relax_disp/ test_suite/unit_tests/_specific_analyses/_relax_disp/