<div dir="ltr">Go for it!<div>--Nick</div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div>Nicholas K. Sauter, Ph. D.<br>Senior Scientist, Molecular Biophysics & Integrated Bioimaging Division<div>Lawrence Berkeley National Laboratory<br>1 Cyclotron Rd., Bldg. 33R0345<br>Berkeley, CA 94720<br>(510) 486-5713<br></div></div></div></div></div></div></div></div></div>
<br><div class="gmail_quote">On Tue, Aug 21, 2018 at 9:58 AM, Luc J. Bourhis <span dir="ltr"><<a href="mailto:luc_j_bourhis@mac.com" target="_blank">luc_j_bourhis@mac.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi,<br>
<br>
we are working with Michal Chodkiewicz (Warsaw University) to add<br>
anharmonic thermal tensors to smtbx refinement. I was thinking to add<br>
one pointer to xray::scatterer, which can be NULL. When it is not so,<br>
it would point to an object which can compute the value and the<br>
derivatives for that thermal factor. That means we would have a base<br>
class with virtual methods, but I would say that is our problem!<br>
<br>
The issue for the rest of the cctbx community is the extra storage of<br>
that pointer in that class. Would that be all right? I remember quite a<br>
few years ago Ralf saying he wanted to replace the ADP's by a pointer<br>
to an external storage to save space. Our idea is along the same line.<br>
<br>
Best wishes,<br>
<br>
Luc<br>
<br>
______________________________<wbr>_________________<br>
cctbxbb mailing list<br>
<a href="mailto:cctbxbb@phenix-online.org">cctbxbb@phenix-online.org</a><br>
<a href="http://phenix-online.org/mailman/listinfo/cctbxbb" rel="noreferrer" target="_blank">http://phenix-online.org/<wbr>mailman/listinfo/cctbxbb</a><br>
</blockquote></div><br></div>