diff options
Diffstat (limited to 'trunk/src/examples/chemicalFormulas.py')
-rw-r--r-- | trunk/src/examples/chemicalFormulas.py | 67 |
1 files changed, 0 insertions, 67 deletions
diff --git a/trunk/src/examples/chemicalFormulas.py b/trunk/src/examples/chemicalFormulas.py deleted file mode 100644 index ce66afd..0000000 --- a/trunk/src/examples/chemicalFormulas.py +++ /dev/null @@ -1,67 +0,0 @@ -# chemicalFormulas.py
-#
-# Copyright (c) 2003, Paul McGuire
-#
-
-from pyparsing import Word, Optional, OneOrMore, Group, ParseException, Regex
-from pyparsing import alphas
-
-atomicWeight = {
- "O" : 15.9994,
- "H" : 1.00794,
- "Na" : 22.9897,
- "Cl" : 35.4527,
- "C" : 12.0107
- }
-
-def test( bnf, strg, fn=None ):
- try:
- print(strg,"->", bnf.parseString( strg ), end=' ')
- except ParseException as pe:
- print(pe)
- else:
- if fn != None:
- print(fn( bnf.parseString( strg ) ))
- else:
- print()
-
-digits = "0123456789"
-
-# Version 1
-element = Regex("A[cglmrstu]|B[aehikr]?|C[adeflmorsu]?|D[bsy]|"
- "E[rsu]|F[emr]?|G[ade]|H[efgos]?|I[nr]?|Kr?|L[airu]|"
- "M[dgnot]|N[abdeiop]?|Os?|P[abdmortu]?|R[abefghnu]|"
- "S[bcegimnr]?|T[abcehilm]|U(u[bhopqst])?|V|W|Xe|Yb?|Z[nr]")
-
-element = Word( alphas.upper(), alphas.lower(), max=2)
-elementRef = Group( element + Optional( Word( digits ), default="1" ) )
-formula = OneOrMore( elementRef )
-
-fn = lambda elemList : sum(atomicWeight[elem]*int(qty) for elem,qty in elemList)
-test( formula, "H2O", fn )
-test( formula, "C6H5OH", fn )
-test( formula, "NaCl", fn )
-print()
-
-# Version 2 - access parsed items by field name
-elementRef = Group( element("symbol") + Optional( Word( digits ), default="1" )("qty") )
-formula = OneOrMore( elementRef )
-
-fn = lambda elemList : sum(atomicWeight[elem.symbol]*int(elem.qty) for elem in elemList)
-test( formula, "H2O", fn )
-test( formula, "C6H5OH", fn )
-test( formula, "NaCl", fn )
-print()
-
-# Version 3 - convert integers during parsing process
-integer = Word( digits ).setParseAction(lambda t:int(t[0]))
-elementRef = Group( element("symbol") + Optional( integer, default=1 )("qty") )
-formula = OneOrMore( elementRef )
-
-fn = lambda elemList : sum(atomicWeight[elem.symbol]*elem.qty for elem in elemList)
-test( formula, "H2O", fn )
-test( formula, "C6H5OH", fn )
-test( formula, "NaCl", fn )
-
-
-
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