Hi Chris,
I'd like to automatically generate documentation for the file formats
based on the OBFormat Description(). Currently this looks like:
===================
MOPAC Cartesian format
Read Options e.g. -as
s Output single bonds only
b Disable bonding entirely
Write Options e.g. -xk
k "keywords" Use the specified keywords for input
f <file> Read the file specified for input keywords
u Write the crystallographic unit cell, if present.
===================
(Note that some formats say Input or Output instead of Read or Write.
I think I should go through and correct these.)
I think that ideally each option should have one or more paragraphs
explaining the option in more depth, for example where it might be
useful or why it was added. Also it would be nice to have an example
using "babel". Now, I don't expect all of this to arrive magically
overnight but I think it might be a good idea for the future. Right
now, though, I would like to get some agreement on how this
documentation can fit into Description() without breaking the GUI
(which I know parses this text string) or "babel -H".
Here's a possible solution; indent the option documentation with 4
spaces (or whatever) and the example with 6.
===================
The MOPAC Cartesian format was designed by the Mopac community in
honour of Rene Descartes. It has
the unique ability to do x, y and z, and is widely regarded as great.
Read Options e.g. -as
s Output single bonds only
b Disable bonding entirely
This option should only be used by trained
professionals. The following example gets rid of bonding entirely in
a MOPAC Cartesian file:
babel whatever -ab
Write Options e.g. -xk
...
===================
Any thoughts?
- Noel
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