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madscatt / zazmol

Library for defining molecular objects to create simulation and analysis programs To install: python setup.py install dependencies: numpy, mocker
GNU General Public License v3.0
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Consider creating the documentation using a tool that exploits Python language features #49

Open StevenCHowell opened 7 years ago

StevenCHowell commented 7 years ago

Two tools you might consider using to simplify creating the documentation are begins and docopt. These packages both take advantage of the features of the Python language to simplify creating documentation, essentially in opposite ways. I have not used either but heard positive presentations of each and they both seem to be well documented. As another source, begins is discussed from page 22-26 of this free book.

madscatt commented 7 years ago

Not a bad idea. Do you want to design a command line interface layer for sasmol? It should not replace the Sphinx documentation which we are already committed. But if it can added in a lightweight logical way and the dependencies are acceptable, I appreciate that the functionality could benefit some folks.

StevenCHowell commented 7 years ago

I could put it in a few packages, though thinking about this more, most of the packages I would want to call from the command line would actually be in SASSIE (basically just need to provide the inputs to the gui_mimic.py files). If we do want this, we should make a list (possibly here) of packages one would want to call from the command line.

SASMOL:

SASSIE: