<div dir="ltr"><br><div class="gmail_extra"><br><br><div class="gmail_quote">On Mon, Feb 4, 2013 at 2:35 PM, Alexey Shvetsov <span dir="ltr"><<a href="mailto:alexxy@omrb.pnpi.spb.ru" target="_blank">alexxy@omrb.pnpi.spb.ru</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">÷ ÐÉÓØÍÅ ÏÔ 4 ÆÅ×ÒÁÌÑ 2013 10:51:29 ÐÏÌØÚÏ×ÁÔÅÌØ Roland Schulz ÎÁÐÉÓÁÌ:<br>
<div class="im">> On Mon, Feb 4, 2013 at 4:00 AM, Alexey Shvetsov</div></blockquote><div>š</div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
<div class="im">><br>
> > 2. It may be easyer to work with atomdata if selections will not be marked<br>
> > static. E.g. sel.position(i).x()<br>
><br>
> I suppose you mean const? I think it makes sense that they are const. I<br>
> think you should make a copy of them before modifying them.<br>
><br>
<br>
</div>Ghmm may be there should be some kind of helper function to copy sel class?<br></blockquote><div style>Why would you want to copy sel? I thought it would be sufficient to copy x. angle.cpp has ašcopy_pos. It might be nice to have that in Selection, e.g.:</div>
<div style><div>void copy_x(int first,šint last, rvec x[]) const;</div></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
<div class="im"><br>
> > For #1 may be its time to reimplement needed functions using new api.<br>
><br>
> Any help with that is greatly appreciated :-)<br>
</div>Well I'll reimplement some needed functions like i did in<br>
<a href="https://gerrit.gromacs.org/#/c/2108/" target="_blank">https://gerrit.gromacs.org/#/c/2108/</a></blockquote><div><br></div><div style>Great! But given that those functions are general they shouldn't be in thešProteinFilamentGeometry class.</div>
<div style><br></div><div style>Roland</div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"><br>
<div class=""><div class="h5">><br>
> > Is there a way to mark output or input files non optional with predefined<br>
> > value<br>
> > like it was possible with old api?<br>
><br>
> See defaultBasename and required<br>
><br>
> Roland<br>
><br>
<br>
--<br>
Best Regards,<br>
Alexey 'Alexxy' Shvetsov<br>
Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,<br>
Gatchina, Russia<br>
Department of Molecular and Radiation Biophysics<br>
Gentoo Team Ru<br>
Gentoo Linux Dev<br>
mailto:<a href="mailto:alexxyum@gmail.com">alexxyum@gmail.com</a><br>
mailto:<a href="mailto:alexxy@gentoo.org">alexxy@gentoo.org</a><br>
mailto:<a href="mailto:alexxy@omrb.pnpi.spb.ru">alexxy@omrb.pnpi.spb.ru</a></div></div></blockquote></div><br><br clear="all"><div><br></div>-- <br>ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov">cmb.ornl.gov</a><br>
865-241-1537, ORNL PO BOX 2008 MS6309
</div></div>