[gmx-developers] multiple file option

Anton Feenstra feenstra at chem.vu.nl
Tue Mar 26 11:12:42 CET 2002


Hi,


I've fixed the error David reported to me, it was caused by filenm.c
sweeping up all filenames on the cmdline for all file options, not 
only for the multiple file options. I also hacked eneconv to use the
multiple file option now.

However, the cvs server (rugmd35, right?) seems to be down, or at
least inaccessible. It doesn't seem to be a network problem since I
*can* contact www.gromacs.org, rugmd64, rugmd23 and odhinn.

Anyway, the way it now works is:
> trjcat -f a.xtc b.xtc -o ab.xtc
and likewise:
> eneconv -f a.edr b.edr -o ab.edr
i.e. specifying multiple files on one option. Using '-h' will
print each file on a separate line. What doesn't work is:
trjcat -f a.xtc -f b.xtc -o ab.xtc
i.e. specifying the same option multiple times, that will issue
the usual 'Fatal error: Double command line argument -f'.
Is that something we would want? I can't see how much work it
would be, but if people think it should be possible to use both
forms on the cmdline, I'm willing to look into it...

Also, we could use these options for programs like gmxcheck,
g_rms and g_anaeig, which have options like '-f' and '-f2'
or '-s1' and '-s2', which might be changed into a single
option that accepts multiple files and issue an error when
more than two files are given. This reduces the cmdline option
clutter somewhat. Again, given common interest, I'd be willing
to implement...

Let me know your opinions...

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
| |----  | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands   |
| |----  | Tel: +31 20 44 47608 - Fax: +31 20 44 47610               |
| ' __   | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
|  /  \  |-----------------------------------------------------------|
| (    ) | Dept. of Biophysical Chemistry - University of Groningen  |
|  \__/  | Nijenborgh 4 - 9747 AG Groningen - The Netherlands        |
|   __   | Tel +31 50 363 4327 - Fax +31 50 363 4800                 |
|  /  \  | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton   |
| (    ) |-----------------------------------------------------------|
|  \__/  | "The Poodle Bites" (F. Zappa)                             |
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