Maybe it would be best just to add a comment to the complete_array and complete_set functions to make clear that the implementation assumes that map_to_asu has been called previously?<div><br></div><div>Richard<br><br><div class="gmail_quote">
On 12 July 2012 23:23, Pavel Afonine <span dir="ltr"><<a href="mailto:pafonine@lbl.gov" target="_blank">pafonine@lbl.gov</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Yes, Ralf's concern was performance. If you hide away map_to_asu in a function that you or someone else runs repetitively then one can run into performance surprises. So it might be better to call map_to_asu consciously, when it's really needed.<span class="HOEnZb"><font color="#888888"><br>
<br>
Pavel</font></span><div class="HOEnZb"><div class="h5"><br>
<br>
On 7/12/12 11:11 PM, Peter Zwart wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
I floated this once to Ralf and his objection was performance. I guess<br>
it also depends on the situation if you want this to happen.<br>
<br>
P<br>
<br>
<br>
On 12 July 2012 23:06, Luc Bourhis <<a href="mailto:luc_j_bourhis@mac.com" target="_blank">luc_j_bourhis@mac.com</a>> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi Peter and Nat,<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
On Thu, Jul 12, 2012 at 8:45 AM, Petrus Zwart <<a href="mailto:phzwart@lbl.gov" target="_blank">phzwart@lbl.gov</a>> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
In general, I use a 'map_to_asu' whenever possible, this avoids some<br>
problems you illustrate, but isn't elegant.<br>
</blockquote>
+1<br>
<br>
This is pretty essential for much of our code, assuming you're working<br>
with merged/symmetry-unique data.<br>
</blockquote>
It would make sense to automagically map to asu in complete_set and complete_array in order to avoid surprises, wouldn't it? Would you see any adverse effect?<br>
<br>
Best wishes,<br>
<br>
Luc Bourhis<br>
<br>
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