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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Hi Ralf,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">OK, let’s see what I can do with this – looks like this is the “bridge” I was looking for…<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Assume I will figure it out! If I get really stuck I will get back to you, otherwise will send patch.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Thanks,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Graeme<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
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<p class="MsoNormal"><b><span lang="EN-US" style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">From:</span></b><span lang="EN-US" style="font-size:10.0pt;font-family:"Tahoma","sans-serif""> cctbxbb-bounces@phenix-online.org [mailto:cctbxbb-bounces@phenix-online.org]
<b>On Behalf Of </b>Ralf Grosse-Kunstleve<br>
<b>Sent:</b> 27 September 2011 11:58<br>
<b>To:</b> cctbx mailing list<br>
<b>Subject:</b> Re: [cctbxbb] Deleting batch from mtz batch header via iotbx.mtz<o:p></o:p></span></p>
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<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Hi Graeme,<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">object_bpl.cpp<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">in this case. -- In a meeting right now and up against a deadline... can you figure it out from here?<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">Ralf<o:p></o:p></p>
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<p class="MsoNormal" style="margin-bottom:12.0pt"><o:p> </o:p></p>
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<p class="MsoNormal">On Tue, Sep 27, 2011 at 1:31 AM, <<a href="mailto:Graeme.Winter@diamond.ac.uk">Graeme.Winter@diamond.ac.uk</a>> wrote:<o:p></o:p></p>
<p class="MsoNormal">Hi Ralf,<br>
<br>
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.<br>
<br>
Would it be possible to export this:<br>
<br>
/*! \brief Allocates memory for new_nref and fill all new data<br>
slots with "not-a-number" bit patterns.<br>
*/<br>
/*! Not available in Python.<br>
*/<br>
void adjust_column_array_sizes(int new_nref);<br>
<br>
To the Python API? I have not figured out yet where this should be done.<br>
<br>
Thanks,<br>
<br>
Graeme<br>
<br>
<br>
<br>
________________________________<br>
From: <a href="mailto:cctbxbb-bounces@phenix-online.org">cctbxbb-bounces@phenix-online.org</a> [<a href="mailto:cctbxbb-bounces@phenix-online.org">cctbxbb-bounces@phenix-online.org</a>] on behalf of Ralf Grosse-Kunstleve [<a href="mailto:rwgrosse-kunstleve@lbl.gov">rwgrosse-kunstleve@lbl.gov</a>]<br>
Sent: 09 September 2011 19:36<br>
To: cctbx mailing list<br>
Subject: Re: [cctbxbb] Deleting batch from mtz batch header via iotbx.mtz<o:p></o:p></p>
<div>
<div>
<p class="MsoNormal" style="margin-bottom:12.0pt"><br>
Hi Graeme,<br>
<br>
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.<br>
<br>
Clearly there is the worry that the subsequent batch column may then refer to a missing batch, however…<br>
<br>
Yes, I didn't wrap the entire CMTZ API (parts I wasn't sure are safe).<br>
My idea was that you simply make a new iotbx.mtz.object and copy only the batches you want.<br>
Patches welcome to add the delete support.<br>
<br>
Ralf<br>
<br>
<o:p></o:p></p>
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