Hi Michael,
This test could be made more flexible, as the code still prevents
valid analyses. For example if all but 1 R1 set is considered
useless. There could be 3 or 4 R2 and NOE data sets, but if there is
only 1 R1, the GUI will not perform model-free analysis. The best
test here would be to count the total of all relaxation data sets.
The most complex model in the dauvergne_protocol automatic analysis is
tm8 with 6 parameters. So the GUI should simply fail if there is less
than 6 data sets, otherwise the data should be accepted.
Cheers,
Edward
On 6 December 2010 03:56, <michael.bieri@xxxxxxxxxxxxx> wrote:
Author: michaelbieri
Date: Mon Dec 6 03:56:55 2010
New Revision: 11701
URL: http://svn.gna.org/viewcvs/relax?rev=11701&view=rev
Log:
To pass thecheckpoint to start model-free analysis, at least two parameters
files per parameter (NOE, R1, R2) have to be given.
Modified:
branches/bieri_gui/gui_bieri/analyses/auto_model_free.py
Modified: branches/bieri_gui/gui_bieri/analyses/auto_model_free.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/analyses/auto_model_free.py?rev=11701&r1=11700&r2=11701&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/analyses/auto_model_free.py (original)
+++ branches/bieri_gui/gui_bieri/analyses/auto_model_free.py Mon Dec 6
03:56:55 2010
@@ -738,44 +738,43 @@
def check_entries(self):
check = False
- counter = 0
+ counter_frq = 0
+ counter_noe = 0
+ counter_r1 = 0
+ counter_r2 = 0
# check frq 1
if not self.modelfreefreq1.GetValue() == '':
- counter = counter + 1
+ counter_frq = counter_frq + 1
if not self.m_noe_1.GetValue() == '':
- counter = counter + 1
+ counter_noe = counter_noe + 1
if not self.m_r1_1.GetValue() == '':
- counter = counter + 1
+ counter_r1 = counter_r1 + 1
if not self.m_r2_1.GetValue() == '':
- counter = counter + 1
+ counter_r2 = counter_r2 + 1
# check frq 1
if not self.modelfreefreq2.GetValue() == '':
- counter = counter + 1
+ counter_frq = counter_frq + 1
if not self.m_noe_2.GetValue() == '':
- counter = counter + 1
+ counter_noe = counter_noe + 1
if not self.m_r1_2.GetValue() == '':
- counter = counter + 1
+ counter_r1 = counter_r1 + 1
if not self.m_r2_2.GetValue() == '':
- counter = counter + 1
+ counter_r2 = counter_r2 + 1
# check frq 1
if not self.modelfreefreq3.GetValue() == '':
- counter = counter + 1
+ counter_frq = counter_frq + 1
if not self.m_noe_3.GetValue() == '':
- counter = counter + 1
+ counter_noe = counter_noe + 1
if not self.m_r1_3.GetValue() == '':
- counter = counter + 1
+ counter_r1 = counter_r1 + 1
if not self.m_r2_3.GetValue() == '':
- counter = counter + 1
-
- # two field strength ok
- if counter == 8:
- check = True
-
- # three field strength ok
- elif counter == 12:
+ counter_r2 = counter_r2 + 1
+
+ # each parameter has to be present at least in doublicates
+ if counter_frq > 1 and counter_noe > 1 and counter_r1 > 1 and
counter_r2 > 1:
check = True
# missing data
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Re: r11701 - /branches/bieri_gui/gui_bieri/analyses/auto_model_free.py