[xcrysden] xcrysden-1.5.60 not opening .struct files

[Tone Kokalj]

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
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(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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