Miguel,
I just made a few more modifications to the Jmol-datafiles directory,
but I stayed away from deleting files. I don't think I really should
have those 'privileges' since somebody once thought they were
important enough to have them there. If that person is still active
(s)he could remove them, or one of the project administrators could
remove them.
It turned out that some files were of an existing type, so I moved
those in their appropriate directories.
There were a lot of ABINT files, so I put those in their own
directory (and added the test case for abint, with all commented out
files to test.... :-)). It seems like it may have been a format that
was once supported? If so we may want to keep the files so that
somebody can start supporting this format again?
What is a bit worrisome is that we now have two files in the gaussian
and jaguar directories that are not properly parsed (see the
commented out files in the TestSmarterJmolAdapter...
Finally a comment. I am a bit surprised that when I read a file that
Jmol has issues with (e.g. one of the two jaguar files) Jmol seems to
stop being able to read anything. I am not sure whether that is the
proper behavior...
René
On Mar 17, 2006, at 6:11 PM, Miguel wrote:
Hi René,
I committed the moved files and update to the test file.
I decided to also do the files in the root level that suggested
(from
the extension .in and .inp) that they were input files too.
Ok, thanks for doing this, it cleans up Jmol-datafiles
There are still some commented lines in there....
Yes:
- root level: I don't know what these files are doing here if Jmol
can't
read them. Is it normal, or is it a Jmol bug ?
They are old ... delete them
- aces2/ : Is it normal or is it a Jmol bug ?
- molpro/ : Is it normal or is it a Jmol bug ?
- pdb/ : It's normal, I commented it because it requires a lot of
memory
I don't understadn what the issue is with these.
- pmesh/ : Probably normal
Clearly the pmesh files are not molecular model data files
Miguel
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