dict problem

Alistair King alistair.king at helsinki.fi
Wed Oct 25 10:38:19 CEST 2006


ive been trying to update a dictionary containing a molecular formula, but seem to be getting this error:

Traceback (most recent call last):
  File "DS1excessH2O.py", line 242, in ?
    updateDS1v(FCas, C, XDS)
NameError: name 'C' is not defined

dictionary is: 

DS1v = {'C': 6, 'H': 10, 'O': 5}

#'Fxas' in each case will be integers but 'atoms' should be a float

def updateDS1v(Fxas, x, XDS):
    while Fxas != 0:
        atoms = DS1v.get('x') + Fxas*XDS
        DS1v[x] = atoms

updateDS1v(FCas, C, XDS)
updateDS1v(FHas, H, XDS)
updateDS1v(FOas, O, XDS)
updateDS1v(FNas, N, XDS)
updateDS1v(FSas, S, XDS)
updateDS1v(FClas, Cl, XDS)
updateDS1v(FBras, Br, XDS)
updateDS1v(FZnas, Zn, XDS)
print DS1v

I know there is probably a simple solution but im quite new to python and am lost?


Dr. Alistair King
Research Chemist,
Laboratory of Organic Chemistry,
Department of Chemistry,
Faculty of Science
P.O. Box 55 (A.I. Virtasen aukio 1)
FIN-00014 University of Helsinki
Tel. +358 9 191 50392, Mobile +358 (0)50 5279446
Fax +358 9 191 50366 

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