[cctbxbb] Deleting batch from mtz batch header via iotbx.mtz

[Ralf Grosse-Kunstleve]

Hi Graeme,

object_bpl.cpp

in this case. -- In a meeting right now and up against a deadline... can you
figure it out from here?

Ralf


On Tue, Sep 27, 2011 at 1:31 AM, <Graeme.Winter at diamond.ac.uk> wrote:

> Hi Ralf,
>
> I tried creating a new mtz object and copying the batches in there, which
> worked just fine (though a copy constructor would not go amiss!) however I
> hit a blocker when I tried to add the reflections to the new mtz object as
> o.n_reflections() was 0 and (as far as I can see) cannot be changed from the
> Python API.
>
> Would it be possible to export this:
>
>      /*! \brief Allocates memory for new_nref and fill all new data
>          slots with "not-a-number" bit patterns.
>       */
>      /*! Not available in Python.
>       */
>      void      adjust_column_array_sizes(int new_nref);
>
> To the Python API? I have not figured out yet where this should be done.
>
> Thanks,
>
> Graeme
>
>
>
> ________________________________
> From: cctbxbb-bounces at phenix-online.org [cctbxbb-bounces at phenix-online.org]
> on behalf of Ralf Grosse-Kunstleve [rwgrosse-kunstleve at lbl.gov]
> Sent: 09 September 2011 19:36
> To: cctbx mailing list
> Subject: Re: [cctbxbb] Deleting batch from mtz batch header via iotbx.mtz
>
> Hi Graeme,
>
> Is there a way to delete a batch from an mtz file batch header? Been trying
> to do this and it looks like it is impossible – though you can add batches.
>
> Clearly there is the worry that the subsequent batch column may then refer
> to a missing batch, however…
>
> Yes, I didn't wrap the entire CMTZ API (parts I wasn't sure are safe).
> My idea was that you simply make a new iotbx.mtz.object and copy only the
> batches you want.
> Patches welcome to add the delete support.
>
> Ralf
>
>
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