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Hi Markus,<br>
<br>
I loosened tolerances. Hopefully that fixes the problem, please let
me know otherwise.<br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 8/11/15 01:30,
<a class="moz-txt-link-abbreviated" href="mailto:markus.gerstel@diamond.ac.uk">markus.gerstel@diamond.ac.uk</a> wrote:<br>
</div>
<blockquote
cite="mid:415F7F573406BB498256C68158D4567454C3B1@EXCHMBX01.fed.cclrc.ac.uk"
type="cite">
<pre wrap="">Hi everyone, particularly Pavel I guess,
I had a look at one intermittently failing test: cctbx/regression/tst_miller.py, run with parameter P31
The relevant piece of code is:
def exercise_randomize_amplitude_and_phase():
xrs = random_structure.xray_structure(
space_group_info=sgtbx.space_group_info(number=1),
elements=["C"]*300)
fc = xrs.structure_factors(d_min=1).f_calc()
def run(a,p):
fc_ = fc.randomize_amplitude_and_phase(amplitude_error=a,
phase_error_deg=p, random_seed=1312425)
d1, d2 = flex.abs(fc.data()), flex.abs(fc_.data())
r = flex.sum(flex.abs(d1-d2))/flex.sum(flex.abs(d1+d2))*2
return (r, fc.mean_phase_error(phase_source=fc_))
#
assert approx_equal(run(0,0), (0,0))
for v in list(xrange(0,91, 10)):
r = run(v/100.,v)
assert approx_equal(r[0], v/100., 0.01)
assert approx_equal(r[1], v, 1)
The test fails in the last line for varying values of v. I saw that the values of r[] increase proportionally to v, so I ran the test 2000 times for v=90, plotting the values of r[0] and r[1]; results attached.
With the current statistics the r[1] test is expected to fail in 1 run out of every 80.
Could you please have a look at this, and either increase the tolerance on the test or identify whether these values are true unexpected outliers indicating a problem in the code? Don't know what the r[1] distribution should look like, but that's clearly not normal.
:)
-Markus
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