For information, I just added code to iotbx.xds:
Added: trunk/iotbx/xds/xds_geometry.py
xds_geometry reader: reads INTEGRATE.HKL, XDS_ASCII.HKL, XPARM.XDS etc. Usage
geometry = structured_xds_geometry(filename)
cell = geometry.sample.cell
Includes work() method and test data internally.
To do: link work() into existing test code.
At the moment the resulting data structure is dumb i.e. works more like Phil objects / c structs than classes.
Cheerio, Graeme
On 12 Oct 2012, at 11:01,
Hi Folks,
Would anyone have any objection if I added some code to iotbx.xds to read things like experimental geometry etc in a straightforward way from the various files that the program produces?
I see something to read reflection files in there already.
Thanks,
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