On Fri, Oct 12, 2012 at 3:01 AM,
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?
No objection here. I assume you already have access to the phenix_regression tree and anything else needed to run the tests? Although this does bring up a related issue: what exactly is the difference between the outputs of XDS and XSCALE? I added support for unmerged data a few months ago, and either program's files read okay (they're effectively the same as far as our parser is concerned), but it's totally unclear to me why anyone would want to use *unscaled* data as input for Phenix - unless either they or I are confused about what these data are, or what Phenix does internally. So I'm wondering if I need modify the parser to (optionally, except when called from Phenix) reject files out of XDS itself, and only accept XSCALE files. -Nat