Alistair King wrote:
> the code works great now. I know these things are quite simple to learn
> from books etc.. but i would be lost without this mailinglist, from lack
> of time. Hopefully soon i can give something more complicated.
> I ended up doing the dictionary formatting properly and the new code is:
> heavy = raw_input("\n\n@@@@@@@@@@@@@@@@@@\n\nPlease enter the heaviest
> atom for which you obtained percentage values for, but not Oxygen or
> Hydrogen, ie, 'C', 'N', 'S', 'Br'...: ")
>
> def updateDS1v(Fxas, x):
> if Fxas !=0 and DS1v.get(x)!=None:
> value = DSvalues.get(heavy)
> floatvalue = float(value)
> atoms = DS1v.get(x) + Fxas*floatvalue
> else:
> value = DSvalues.get(heavy)
> floatvalue = float(value)
> DS1v[x] = Fxas*floatvalue
>
> updateDS1v(FCas, 'C')
> updateDS1v(FHas, 'H')
> updateDS1v(FOas, 'O')
> updateDS1v(FNas, 'N')
> updateDS1v(FSas, 'S')
> updateDS1v(FClas, 'Cl')
> updateDS1v(FBras, 'Br')
> updateDS1v(FZnas, 'Zn')
> it works perfectly now
Probably not. Have you manually verified the result with more than one
example? Where does 'heavy' come from? Is that black hole 'atoms'
intentional?
# I'm just guessing here
for k, v in DSvalues.iteritems():
DSvalues[k] = float(v)
def updateDS1v(Fxas, x):
DS1v[x] = DS1v.get(x, 0) + Fxas*DSvalues[x]
Peter
--
http://mail.python.org/mailman/listinfo/python-list
