Hi Martin,<div>You're very welcome to add a C++ version of the Krivy-Gruber algorithm to cctbx if that's what you had in mind.</div><div>I'm not sure what's better, generalizing the fast-minimum-reduction code, or just having an independent implementation.</div>
<div>Ralf<br><br><div class="gmail_quote">On Thu, Mar 22, 2012 at 2:24 PM, Martin Uhrin <span dir="ltr"><<a href="mailto:martin.uhrin.10@ucl.ac.uk">martin.uhrin.10@ucl.ac.uk</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Cctbx community,<div><br></div><div>Firstly I'd like to say thank you to Rolf, Nicholas and Paul for their expertly thought through implementation of the reduced cell algorithm. �I've found it to be extremely useful for my work.</div>
<div><br></div><div>My code is all in C++ and I'd like to be able to use the Krivy-Gruber algorithm. �My understanding is that only the reduced�(Buerger)�unit cell algorithm is implemented in C++ [1] which guarantees shortest lengths but not unique angles. �From my understanding the Krivy-Gruber would also guarantee me�uniqueness�of unit cell angles, however this is only implemented in Python [2]. �Sorry to be so verbose, I just wanted to check that I was on the right page.</div>
<div><br></div><div>Would it be possible for me to implement the Krivy-Gruber in C++ by adding in the epsilon_relative to the parameter and following the procedure found in the python version?</div><div><br></div><div>Many thanks,</div>
<div>-Martin</div><div><br></div><div>[1]�<a href="http://cctbx.sourceforge.net/current/c_plus_plus/classcctbx_1_1uctbx_1_1fast__minimum__reduction.html" target="_blank">http://cctbx.sourceforge.net/current/c_plus_plus/classcctbx_1_1uctbx_1_1fast__minimum__reduction.html</a></div>
<div>[2]�<a href="http://cctbx.sourceforge.net/current/python/cctbx.uctbx.krivy_gruber_1976.html" target="_blank">http://cctbx.sourceforge.net/current/python/cctbx.uctbx.krivy_gruber_1976.html</a></div><span class="HOEnZb"><font color="#888888"><div>
<br></div><div><br clear="all">
<div><br></div>-- <br><span style="border-collapse:collapse;color:rgb(136,136,136);font-family:arial,sans-serif;font-size:13px">Martin Uhrin � � � � � � � � � � � � � � � � � � � � � � � � �Tel: <a href="tel:%2B44%20207%20679%203466" value="+442076793466" target="_blank">+44 207 679 3466</a><br>
Department of Physics & Astronomy� � � � � � �� Fax:<a href="tel:%2B44%20207%20679%200595" value="+442076790595" target="_blank">+44 207 679 0595</a><br>
University College London � � � � � � � � � � � ��<a href="mailto:martin.uhrin.10@ucl.ac.uk" style="color:rgb(0,0,204)" target="_blank">martin.uhrin.10@ucl.ac.uk</a><br>Gower St, London, WC1E 6BT, U.K.� � � ���<a href="http://www.cmmp.ucl.ac.uk/" style="color:rgb(0,0,204)" target="_blank">http://www.cmmp.ucl.ac.uk</a></span><br>
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