Closed davidlmobley closed 7 years ago
@FEPanalysis - did you review this? I'm ready to merge. I also fixed a number of tab vs space issues which may be an issue in #6 ... (To be more specific - in some cases you had a tab rather than spaces in the code which caused some indentation problems when I edited those functions, if I remember correctly.)
I'll need to update this now that #6 is merged. Will do soon.
@FEPanalysis - if you could also just give this a quick review when you have time (though it's lower priority) you or I can merge once you do so.
This reorganizes the tool so the name is
alchemical_setup
rather thanalchemical-setup
and so thatsetup.py
works for installation. Additionally, and more significantly, this adds some additional exception handling and use checking, including:There are also some fixes to the verbosity settings and print statements, i.e. to remove extraneous prints except when verbose is specified. And I made some improvements to the
-h
option to make it more self-explanatory.@FEPanalysis , please review. I'll also open an issue regarding two other small things.