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Fixed UMIST XSAMS compliance. Minor typo fixes to generators.py #60

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merged 5 commits into from
Nov 20, 2012

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kenwsmith
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UMIST node is now producing correct XSAMS.

Added reactant1-reactant3 and product1-product4 prefixes to facilitate reactant and product queries (which can be done in any order). Fixed unsupported restrictables.

Fixed two minor typos in generators.py

…te querying of any combination of reactants and products.
…ilitate querying of any combination of reactants and products. Fixed FitData source references. Removed incorrect DataSet source references. Removed unsupported restrictables. Moved MoleculeChemicalName to query the structural formula rather than the chemical name (in accordance with the dictionaries definition of MoleculeChemicalName).
@ivh ivh merged commit 0a977d4 into ivh:master Nov 20, 2012
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