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Initialize the global RMGDatabase object upon calling it #1565

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merged 1 commit into from
Mar 22, 2019
Merged

Initialize the global RMGDatabase object upon calling it #1565

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14 changes: 6 additions & 8 deletions rmgpy/data/rmg.py
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Original file line number Diff line number Diff line change
Expand Up @@ -50,7 +50,8 @@

################################################################################

class RMGDatabase:

class RMGDatabase(object):
"""
The primary class for working with the RMG database.
"""
Expand All @@ -62,15 +63,12 @@ def __init__(self):
self.kinetics = None
self.statmech = None
self.solvation = None

# Store the newly created database in the module.
global database
# assert database is None, "Should only make one instance of RMGDatabase because it's stored as a module-level variable."
if database is None:
database = self
else:
logging.warning("Should only make one instance of RMGDatabase because it's stored as a module-level variable!")
logging.warning("Unexpected behaviour may result!")
if database is not None:
logging.warning('An instance of RMGDatabase already exists. Re-initializing it.')
database = self

def load(self,
path,
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