def loadSolvation(self, path): """ Load the RMG solvation database from the given `path` on disk, where `path` points to the top-level folder of the RMG solvation database. """ self.solvation = SolvationDatabase() self.solvation.load(path)
def loadOld(self, path): """ Load the old RMG database from the given `path` on disk, where `path` points to the top-level folder of the old RMG database. """ self.thermo = ThermoDatabase() self.thermo.loadOld(path) self.transport = TransportDatabase() #self.transport.loadOld(path) # Currently no loadOld import function available for transport groups self.forbiddenStructures = ForbiddenStructures() self.forbiddenStructures.loadOld(os.path.join(path, 'ForbiddenStructures.txt')) self.kinetics = KineticsDatabase() self.kinetics.loadOld(path) self.statmech = StatmechDatabase() self.statmech.loadOld(path) self.solvation = SolvationDatabase()