<div dir="ltr"><div class="gmail_extra">Hi,</div><div class="gmail_extra"><br><div dir="ltr">On Wed, Jan 30, 2013 at 6:09 AM, Alexey Shvetsov <span dir="ltr"><<a href="mailto:alexxy@omrb.pnpi.spb.ru" target="_blank">alexxy@omrb.pnpi.spb.ru</a>></span> wrote:<br>
</div><div class="gmail_extra"><div class="h5"><div class="gmail_quote"><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">
What is the easyest way to get access to t_atom data from topology using new<br>analysys framework?<br></blockquote><br>Before you do that, you should consider whether you can achieve the same thing with the use of selections. This is of course not always possible, but if it is, it usually leads to a more flexible tool (in particular if your tool would assume that each position in the selection is an atom).<div style>
<br></div></div></div></div><div class="gmail_quote">On Thu, Jan 31, 2013 at 6:15 AM, Roland Schulz <span dir="ltr"><<a href="mailto:roland@utk.edu" target="_blank">roland@utk.edu</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">
<div dir="ltr"><div>untested but should work:</div><div><br></div><div>initAnalysis(const TrajectoryAnalysisSettings &, const TopologyInformation &top) {</div><div> top->topology()->atoms;</div>
<div>}</div></div></blockquote><div><br></div><div style>Yes, this is the approach to use. In addition, you will need to either check for the presence of the topology (by checking the return value for NULL, or by calling hasTopology()), or tell the framework that your tool requires the topology (by calling TrajectoryAnalysisSettings::setFlag(efRequireTop)) to avoid crashing when the user does not provide a topology.</div>
<div style><br></div><div style>Best regards,</div><div style>Teemu</div></div></div></div>