Re: Looping over incomplete data-set -- December 10, 2013

Hi,

How did you get this error?  For me the test-suite is passing all
tests.  Did you revert the commit as I mentioned at
http://thread.gmane.org/gmane.science.nmr.relax.scm/19691/focus=4871 ?

Regards,

Edward



On 10 December 2013 16:30, Troels Emtekær Linnet <tlinnet@xxxxxxxxx> wrote:

Hi Edward.

I get this warning for a R1rho dataset I am trying.

------
  File
"/Users/tlinnet/software/relax_trunk/test_suite/system_tests/relax_disp.py",
line 2590, in test_r1rho_kjaergaard
    relax_disp.Relax_disp(pipe_name=pipe_name, pipe_bundle=pipe_bundle,
results_dir=ds.tmpdir, models=MODELS, grid_inc=GRID_INC, mc_sim_num=MC_NUM,
modsel=MODSEL)
  File "/Users/tlinnet/software/relax_trunk/auto_analyses/relax_disp.py",
line 116, in __init__
    self.run()
  File "/Users/tlinnet/software/relax_trunk/auto_analyses/relax_disp.py",
line 451, in run
    self.optimise(model=model)
  File "/Users/tlinnet/software/relax_trunk/auto_analyses/relax_disp.py",
line 350, in optimise
    self.interpreter.grid_search(inc=self.grid_inc)
  File "/Users/tlinnet/software/relax_trunk/prompt/uf_objects.py", line 221,
in __call__
    self._backend(*new_args, **uf_kargs)
  File "/Users/tlinnet/software/relax_trunk/pipe_control/minimise.py", line
152, in grid_search
    grid_search(lower=lower, upper=upper, inc=inc, constraints=constraints,
verbosity=verbosity)
  File
"/Users/tlinnet/software/relax_trunk/specific_analyses/relax_disp/api.py",
line 1093, in grid_search
    self.minimise(min_algor='grid', lower=lower, upper=upper, inc=inc,
constraints=constraints, verbosity=verbosity, sim_index=sim_index)
  File
"/Users/tlinnet/software/relax_trunk/specific_analyses/relax_disp/api.py",
line 1142, in minimise
    self._minimise_r2eff(min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations,
constraints=constraints, scaling=scaling, verbosity=verbosity,
sim_index=sim_index, lower=lower, upper=upper, inc=inc)
  File
"/Users/tlinnet/software/relax_trunk/specific_analyses/relax_disp/api.py",
line 382, in _minimise_r2eff
    values.append(average_intensity(spin=spin, exp_type=exp_type, frq=frq,
point=point, time=time, sim_index=sim_index))
  File
"/Users/tlinnet/software/relax_trunk/specific_analyses/relax_disp/disp_data.py",
line 112, in average_intensity
    int_keys = find_intensity_keys(exp_type=exp_type, frq=frq, point=point,
time=time)
  File
"/Users/tlinnet/software/relax_trunk/specific_analyses/relax_disp/disp_data.py",
line 345, in find_intensity_keys
    raise RelaxError("No intensity data could be found corresponding to the
spectrometer frequency of %s MHz, dispersion point of %s and relaxation time
of %s s." % (frq*1e-6, point, time))
RelaxError: RelaxError: No intensity data could be found corresponding to
the spectrometer frequency of 799.7773991 MHz, dispersion point of 431.0 and
relaxation time of 0.14 s.
-----

It is true, that there is no intensity for this combination.

But does relax not accept incomplete datasets ?

I guess this is related to:
http://thread.gmane.org/gmane.science.nmr.relax.scm/19695

Where it loops over each experiment type, spectrometer frequency, offset and
dispersion point.



Best
Troels


Troels Emtekær Linnet

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Re: Looping over incomplete data-set

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