[xcrysden] xcrysden-1.5.60 not opening .struct files

[Kortan, Victoria R]

Victory!

I edited /sw/share/xcrysden-1.5.60/Tcl/auxil.tcl to change FileHead as suggested:

proc FileHead file {
    set filehead [file rootname $file]
    regsub -all { } $filehead \. filehead

    return $filehead
}

And I can now successfully visualize my .struct files.

Thank you very much!
~Victoria

________________________________________
From: xcrysden-bounces at democritos.it [xcrysden-bounces at democritos.it] on behalf of Tone Kokalj [tone.kokalj at ijs.si]
Sent: Wednesday, January 28, 2015 7:11 AM
To: xcrysden at democritos.it
Subject: Re: [xcrysden] xcrysden-1.5.60 not opening .struct files

On Wed, 2015-01-28 at 13:17 +0100, Martin Kroeker wrote:
> I'd say that is unlikely to be the root cause of the problem, as "filehead"
> is determined before calling str2xcr.
> Could it be a double dot in the original filename, something like
> Si216..struct  ? I could imagine that the "tcl list mangling" in the
> original FileHead proc might fall over when the list created by "split"
> contains empty elements "{}".
> Hmmm... seeing that the result of "proc FileHead" is not used much anywhere
> else, would it be conceivable that this part of wnOpen.tcl has been happily
> creating (temporary) xcr files with an extraneous brace in them for decades, and
> only now str2xcr refuses to create them (or the underlying file system /
> operating system / shell does not allow a stray closing brace in filenames) ??

This is absolutely correct; the old FileHead does return the "file.{}"
for the double dotted "file..ext", while "file rootname file..ext"
returns "file."; I have correct the old proc.

However, if I do a double dotted example I obtain a slightly different
error, i.e.:

xcrysden --wien_struct al2o3..struct

returns:

Error in startup script: error renaming "al2o3.{}.xcr": no such file or
directory

(the file al2o3..struct must of course exist or else xcrysden complains
"file does not exist")

Regards, Tone

--
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

Please, if possible, avoid sending me Word or PowerPoint attachments.
See:  http://www.gnu.org/philosophy/no-word-attachments.html

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