Hi Ed,
I was pretty sure this was already fine before the commit, but the error
message below (from the system-test for the slow-exchange regime, the
same being tru for the test for the fast-exchange regime) made me feel
it might need to be changed...
=================================
relax> grid_search(lower=None, upper=None, inc=11, constraints=True,
verbosity=1)
Traceback (most recent call last):
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/test_suite/system_tests/relax_disp.py",
line 75, in test_curve_fitting_cpmg_slow
self.relax.interpreter.run(script_file=sys.path[-1] +
'/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py')
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/prompt/interpreter.py",
line 276, in run
return run_script(intro=self.__intro_string, local=self.local,
script_file=script_file, quit=self.__quit_flag,
show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/prompt/interpreter.py",
line 537, in run_script
return console.interact(intro, local, script_file, quit,
show_script=show_script, raise_relax_error=raise_relax_error)
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/prompt/interpreter.py",
line 433, in interact_script
execfile(script_file, local)
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/test_suite/system_tests/scripts/relax_disp_cpmg_slow.py",
line 96, in <module>
grid_search(inc=11)
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/prompt/minimisation.py",
line 156, in grid_search
minimise.grid_search(lower=lower, upper=upper, inc=inc,
constraints=constraints, verbosity=verbosity)
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/generic_fns/minimise.py",
line 185, in grid_search
grid_search(lower=lower, upper=upper, inc=inc,
constraints=constraints, verbosity=verbosity)
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/specific_fns/relax_disp.py",
line 578, in grid_search
self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc,
constraints=constraints, verbosity=verbosity, sim_index=sim_index)
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/specific_fns/relax_disp.py",
line 817, in minimise
param_vector = self.assemble_param_vector(spin=spin)
File
"/home/semor/pse-4/collaborations/relax/relax-1.3--relax_disp/specific_fns/relax_disp.py",
line 95, in assemble_param_vector
elif spin.r2a == None:
AttributeError: 'SpinContainer' object has no attribute 'r2a'
=================================
What do you think ? Does this error arise because of an error in case
somewhere else in the code ?
Regards,
Séb :)
Edward d'Auvergne wrote:
Hi,
It looks like there might still be a few capitalisation issues.
Please see below.
On Sun, Jan 11, 2009 at 9:29 PM, <sebastien.morin.1@xxxxxxxxx> wrote:
Author: semor
Date: Sun Jan 11 21:29:53 2009
New Revision: 8396
URL: http://svn.gna.org/viewcvs/relax?rev=8396&view=rev
Log:
Changed the object names so they are lower case as they should be, based
on the rest of the code.
Made the equivalent change in the function assemble_param_vector() to
allow the system-test to go
further..
This was spotted by Ed in a post at:
https://mail.gna.org/public/relax-devel/2009-01/msg00058.html
(Message-id: <7f080ed10901111041n65ecd976ie058ed0500d47746@xxxxxxxxxxxxxx>)
Modified:
branches/relax_disp/specific_fns/relax_disp.py
Modified: branches/relax_disp/specific_fns/relax_disp.py
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/specific_fns/relax_disp.py?rev=8396&r1=8395&r2=8396&view=diff
==============================================================================
--- branches/relax_disp/specific_fns/relax_disp.py (original)
+++ branches/relax_disp/specific_fns/relax_disp.py Sun Jan 11 21:29:53 2009
@@ -62,7 +62,7 @@
# Loop over the model parameters.
for i in xrange(len(spin.params)):
# Transversal relaxation rate.
- if spin.params[i] == 'R2':
+ if spin.params[i] == 'r2':
Here this is the parameter string, which is what the user sees. In
this situation, it should be in natural case, eg 'R2'. This is the
same with everything in spin.params.
if sim_index != None:
param_vector.append(spin.r2_sim[sim_index])
elif spin.r2 == None:
@@ -71,7 +71,7 @@
param_vector.append(spin.r2)
# Chemical exchange contribution to 'R2'.
- elif spin.params[i] == 'Rex':
+ elif spin.params[i] == 'rex':
if sim_index != None:
param_vector.append(spin.rex_sim[sim_index])
elif spin.rex == None:
@@ -89,7 +89,7 @@
param_vector.append(spin.kex)
# Transversal relaxation rate for state A.
- if spin.params[i] == 'R2A':
+ if spin.params[i] == 'r2a':
if sim_index != None:
param_vector.append(spin.r2a_sim[sim_index])
elif spin.r2a == None:
@@ -98,7 +98,7 @@
param_vector.append(spin.r2a)
# Exchange rate from state A to state B.
- if spin.params[i] == 'kA':
+ if spin.params[i] == 'ka':
if sim_index != None:
param_vector.append(spin.ka_sim[sim_index])
elif spin.ka == None:
@@ -1032,15 +1032,15 @@
| Data type | Object name
| Patterns |
|___________________________________________________|________________|__________________________|
| |
| |
- | Transversal relaxation rate | 'R2'
| '^[Rr]2$' |
+ | Transversal relaxation rate | 'r2'
| '^[Rr]2$' |
Here this is the object name, not the parameter name. So it should be
'r2', which is now correct.
Regards,
Edward
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-devel mailing list
relax-devel@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel
Re: r8396 - /branches/relax_disp/specific_fns/relax_disp.py