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

From: David Case <david.case.rutgers.edu>
Date: Mon, 20 Feb 2017 11:48:10 -0500

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?]

...thx...dac


_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Mon Feb 20 2017 - 09:00:03 PST
Custom Search