Hi,
On Fri, Aug 9, 2013 at 4:44 AM, Jan-Philip Gehrcke
<jgehrcke.googlemail.com> wrote:
> would it be easy for you not to cut dataset names? For example,
This only happens with the 'standard' data file output format (legends
are not truncated in grace/gnuplot output) and the reason for it goes
way back to the beginning of cpptraj. At that time cpptraj was really
just a side project and I was playing around with the best way to
parallelize things, and one of the ideas I played with was having data
split across different MPI threads and then having each thread write
it's data to a single file, rather than have all data sent to one node
and then written. In order to do this correctly of course you need to
know the output file size in advance so the file pointer for each node
can be correctly positioned. In order to make it as simple as possible
to do this I decided everything needed to be a fixed width, and
arbitrarily decided to just base it on the width of the data to be
written. This is why for example default data set names have a 5-digit
fixed-width extension. Of course, I ended up deciding to focus on
parallelizing things with OpenMP (although in AmberTools14 cpptraj
there will also be MPI-enabled stuff) so currently the fixed-width
truncation only serves to play havoc with large legend names. It's
something I've thought about changing a lot but
However, you can currently work around this by manually setting column
widths via the 'precision' command: just set the width of each data
set large enough so your legends fit. For example, to ensure your
legend is going to be 20 chars wide:
radgyr out radgyr.mass.dat :1-13 mass
precision radgyr.mass.dat 20 4
Hope this helps,
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Fri Aug 09 2013 - 08:30:03 PDT
