• Matteo Reggente's avatar
    Changed calcOMOC file to support cases^in which users does not include cCOH... · 6b838c56
    Matteo Reggente authored
    Changed calcOMOC file to support cases^in which users does not include cCOH and carbonylCO; In the calcultaion of OMOC ratio, if both cCOH and COOH or carbonylCO and naCO are present, the script drops cCOH and carbonylCO in favor of COOH and naCO; Moles2Masses I used all() (as previously used by Satoshi) instead of any() but I have changied the order of the inputs compare to the previous version of  Satoshi that was alway giving FALSE
    6b838c56
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