fixes #131
Sped up the metabolite matching by precalculation for the neutralization of charge metabolites, implemented that errors during stereoisomer evaluation are caught and handled, yet handling is not perfect and fallback is only current inchi encoded stereoisomeric form of the metabolite (check compareInchiByStereoIsomer() function for details). Adjusted tests accordingly.
fixes #131 Sped up the metabolite matching by precalculation for the neutralization of charge metabolites, implemented that errors during stereoisomer evaluation are caught and handled, yet handling is not perfect and fallback is only current inchi encoded stereoisomeric form of the metabolite (check compareInchiByStereoIsomer() function for details). Adjusted tests accordingly.