Hi Martin,<div>Let me know if you need svn write access to check in your changes. All I need is your sourceforge user id.</div><div>Ralf<br><br><div class="gmail_quote">On Fri, Mar 23, 2012 at 3:35 AM, 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 David and Rolf,<div><br></div><div>thank you for your encouragement.</div><div><br></div><div>David: I'm more than happy to port your implementation to cctbx if you're happy with this. �Of course I don't want to step on your toes so if you'd rather do it yourself (or not at all) that's cool.</div>
<div><br></div><div>There may be some licensing issues to sort out as it looks like cctbx has a custom (non�viral) license but the BSD license is likely compatible.</div><div><br></div><div>On first impression I think a new class would be the way to go but I'd have to look at the two algorithms in greater detail to be sure.</div>
<div><br></div><div>All the best,</div><div>-Martin<div><div class="h5"><br><br><div class="gmail_quote">On 22 March 2012 22:00, Ralf Grosse-Kunstleve <span dir="ltr"><<a href="mailto:rwgrosse-kunstleve@lbl.gov" target="_blank">rwgrosse-kunstleve@lbl.gov</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">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><span><font color="#888888">
</font></span><div><span><font color="#888888">Ralf<br><br></font></span><div class="gmail_quote"><div>On Thu, Mar 22, 2012 at 2:24 PM, Martin Uhrin <span dir="ltr"><<a href="mailto:martin.uhrin.10@ucl.ac.uk" target="_blank">martin.uhrin.10@ucl.ac.uk</a>></span> wrote:<br>
</div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div>
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><font color="#888888"><div>
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