Closed GoogleCodeExporter closed 9 years ago
Bryan, thanks for this set of patches. The attention to detail is very much
appreciated. Most of these patches are incorporated by commits r2620 through
r2636.
I removed the changes to the variable used for the temperature exponent, as I
think I would prefer that it be standardized to 'b', which is more consistent
with what's used in the C++ documentation and source code (see RxnRates.h) and
the literature that we reference (Kee uses 'beta'). Unfortunately, ctml_writer
uses 'n' as a keyword argument, which means changing it will be a slight API
change, though I'm not sure anyone uses the keyword-argument form of the
constructor for class Arrhenius.
Original comment by yarmond
on 18 Dec 2013 at 7:04
Hi Ray,
My pleasure! Got to do something to procrastinate.
WRT the temperature exponent: I completely agree, "T to the b" sounds more
correct to me as well. Maybe you can add a note in the docs about the change in
notation, if a change in the API would break things. Alternatively, maybe the
API could be changed transparently - allow either 'n' or 'b' to be used, and
change the documentation to say 'b'? Something like:
def __init__(self, A=0.0, b=0.0, E=0.0, coverage=[], rate_type='', n=None):
if n is not None:
b = n
would allow the docs to be updated to say 'b' everywhere, but allow people
still using the keyword-argument to keep doing so. It could also print a
warning if people are using the 'n' keyword-argument that the 'n' will be
deprecated and removed in a future version, if removal is necessary.
Original comment by bryan.w....@gmail.com
on 19 Dec 2013 at 1:29
Yes, I think that would make for a smooth transition. Feel free to put a patch
together for that change.
Original comment by yarmond
on 19 Dec 2013 at 7:00
Original issue reported on code.google.com by
bryan.w....@gmail.com
on 18 Dec 2013 at 12:00Attachments: