[cctbxbb] Adding columns to new *unmerged* MTZ object

Graeme.Winter at diamond.ac.uk Graeme.Winter at diamond.ac.uk
Wed Feb 12 02:40:19 PST 2014


By adding 


to the bpl  wrapper and defining 


in the object.h and bpl wrapper I can do what I want…

I will add some tests and some warnings that this may make nonsense of the values… however before committing any comments on the interface? or behaviour?

Thanks Graeme

On 12 Feb 2014, at 09:11, <Graeme.Winter at diamond.ac.uk> <Graeme.Winter at diamond.ac.uk> wrote:

> Hi Folks,
> I am trying to create a new MTZ file containing unmerged and it seems to be less simple than I would think - set_reals() on a column requires a set of Miller indices and values and does a lookup internally (which I don’t want for unmerged values) and set_values() requires that the array is already the right size - when it starts off as size 0 and I have no idea how to make enough room in there from the Python API…
> Any clues? I have done quite a chunk of grepping around to try and figure this one out and have run out of ideas…
> Thanks Graeme_______________________________________________
> cctbxbb mailing list
> cctbxbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/cctbxbb

-------------- next part --------------
A non-text attachment was scrubbed...
Name: smime.p7s
Type: application/pkcs7-signature
Size: 2017 bytes
Desc: not available
URL: <http://phenix-online.org/pipermail/cctbxbb/attachments/20140212/b8890be6/attachment.p7s>

More information about the cctbxbb mailing list