Exemple #1
0
 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)
Exemple #2
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 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()