Re: [AMBER-Developers] having tleap fail when input files are not found

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Tue, 21 Feb 2017 11:50:13 -0500

On Tue, Feb 21, 2017 at 3:27 AM, Scott Brozell <sbrozell.rci.rutgers.edu>
wrote:

> Hi,
>
> Ok, I'll investigate.
>

awesome. thanks.

Hai


>
> scott
>
> On Mon, Feb 20, 2017 at 04:38:17PM -0500, Hai Nguyen wrote:
> > +1 for exiting right away if getting error since the final prmtop is NOT
> ok
> > to use.
> >
> > Hai
> >
> > On Mon, Feb 20, 2017 at 4:32 PM, Justin MacCallum <
> justin.maccallum.me.com>
> > wrote:
> >
> > > Hi Dave,
> > >
> > > We routinely use tleap non-interactively, and this behaviour bites us
> > > occasionally. It would be great if there was a mechanism to specify
> that
> > > tleap should die with a suitable error code whenever ti would otherwise
> > > print an error when called interactively.
>
> On Mon, Feb 20, 2017 at 11:48:10AM -0500, David Case wrote:
> > This is a long-standing behavior for tleap:
> >
> > > MSE = loadmol2 MSE.mol2
> > Could not open file MSE.mol2: not found
> >
> > ...soldier on, continue with the next command.
> >
> > The above behavior is appropriate for interactive use, to give the user
> > the chance to correct a typing mistake. But it mainly causes confusion
> > for non-interactive use, since the error message that almost invevitably
> > will come often hides the true source of the error.
> >
> > Could we not use isatty() to make "not found" a fatal error for
> > non-interactive use? Can some kind soul with spare time try to do this?
> >
> > [I know that there are some workflows that rely on the current behavior,
> > e.g. they load files that may not exist but also may not be needed.
> > How much should we worry about breaking such behavior? Do we need a
> > command-line switch (or a new "global" variable) to control whether
> > "non-found" is fatal?]
>
>
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Received on Tue Feb 21 2017 - 09:00:03 PST
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