Hi Marcin,
I do not think that this is an unreasonable burden, given what you gain as a
result of it - the languages are probably >> 90% identical, and you get access
to a bucket full of tools by staying in the common ground area. I appreciate
that rewriting cctbx could be a fun challenge, but I for one don’t have time to
do so ;-)
Kay, quite by chance I find myself writing a jiffy script which compares
scaled-but-unmerged data with scaled and merged data, to look at the
distributions about the mean value - clearly I could merge the data myself
using cctbx tools, but the aim was to compare the reflections files as they
came from aimless - anyway, this computes a “z” score for each reflection i.e.
(i - <i>) / sig(i) for each observation & forms a histogram:
20 ish lines of code and a few minutes later:
############
from __future__ import print_function, division
from iotbx import mtz
from scitbx.array_family import flex
import sys
merged = mtz.object(sys.argv[1])
unmerged = mtz.object(sys.argv[2])
unique_indices = merged.extract_miller_indices()
all_indices = unmerged.extract_miller_indices()
imean = merged.extract_observations('IMEAN', 'SIGIMEAN')
iuniq = unmerged.extract_observations('I', 'SIGI')
z = flex.double(iuniq.data.size(), 0.0)
for index, i in zip(unique_indices, imean.data):
sel = (all_indices == index)
z.set_selected(sel, (iuniq.data - i) / iuniq.sigmas)
h = flex.histogram(z, data_min=-5, data_max=5, n_slots=100)
for c, v in zip(h.slot_centers(), h.slots()):
print(c, v)
############
thought it may help the discussion.
best wishes Graeme
> On 7 Jun 2018, at 11:43, Marcin Wojdyr <[email protected]> wrote:
>
> On 7 June 2018 at 05:29, [email protected]
> <[email protected]> wrote:
>> Dear Kay,
>>
>> Yes, it’s writing code to be compatible with Python2 and Python3 - in real
>> life they are largely idiomatically similar, with well documented
>> differences e.g.
>
> In other words, it's learning both Python2 and Python3 and using the
> subset of the language that works with both interpreters.
> It's an extra burden and if one is learning Python choosing any of the
> two versions will make it easier.
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