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, <[email protected]> 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: <[email protected]>)
>>
>>
>> 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
>
> _______________________________________________
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