VlachosGroup / pMuTT

Python Multiscale Thermochemistry Toolbox (pMuTT)
https://vlachosgroup.github.io/pMuTT/
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Convert species input to Reaction.from_string from list to dict automatically #177

Closed wittregr closed 1 year ago

wittregr commented 3 years ago

Reaction.from_string requires a dictionary of species. statmech and empirical objects are created as lists. Add the feature to check the species input type and convert to dict if the type is list so the user does not need to remember to do this.

wittregr commented 3 years ago

Pull request #178 created to resolve