Hi Thomas,
In general, the PyMOL API should raise pymol.CmdException if things go wrong.
But in case of cmd.pair_fit() this wasn't happening (see my fix that I pushed
few minutes ago:
https://github.com/schrodinger/pymol-open-source/commit/b26d91c40d20344fef511ea9d6bb664a93f1bb4a
)
cmd.select() correctly raises an exception, so if you want to make a script
more robust against selection failures, you could always create a named
selection first to check if it's valid.
tmpsele1 = cmd.get_unused_name('_sele1')
try:
cmd.select(tmpsele1, someexpression, 0)
except pymol.CmdException:
print('invalid selection')
finally:
cmd.delete(tmpsele1)
Cheers,
Thomas
> On Feb 22, 2019, at 12:11 PM, Thomas Evangelidis <[email protected]> wrote:
>
> Hi Thomas,
>
> This is great! I can even include more atom types in the selection.
> Just for the record, is it possible to catch PyMOL exceptions like
> "Selector-Error" from within a Python script? Is there any general strategy
> to select which exception type to look for? In the past, I was catching
> exceptions from 'tmalign' with "except AssertionError:" which doesn't work
> for "Selector-Error".
>
> Best,
> Thomas
>
>
> --
> ======================================================================
> Dr Thomas Evangelidis
> Research Scientist
> IOCB - Institute of Organic Chemistry and Biochemistry of the Czech Academy
> of Sciences
> Prague, Czech Republic
> &
> CEITEC - Central European Institute of Technology
> Brno, Czech Republic
>
> email: [email protected]
> website: https://sites.google.com/site/thomasevangelidishomepage/
--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.
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