def saveRestartFile(path, rmg, delay=0):
"""
Save a restart file to `path` on disk containing the contents of the
provided `reactionModel`. The `delay` parameter is a time in seconds; if
the restart file is not at least that old, the save is aborted. (Use the
default value of 0 to force the restart file to be saved.)
"""
warnings.warn("The saveRestartFile is no longer supported and may be"
" removed in version 2.3.", DeprecationWarning)
# Saving of a restart file is very slow (likely due to all the Quantity objects)
# Therefore, to save it less frequently, don't bother if the restart file is less than an hour old
if os.path.exists(path) and time.time() - os.path.getmtime(path) < delay:
logging.info('Not saving restart file in this iteration.')
return
# Pickle the reaction model to the specified file
# We also compress the restart file to save space (and lower the disk read/write time)
logging.info('Saving restart file...')
from rmgpy.rmg.main import RMG
rmg_restart = RMG()
rmg_restart.reactionModel = rmg.reactionModel
rmg_restart.unimolecularReact = rmg.unimolecularReact
rmg_restart.bimolecularReact = rmg.bimolecularReact
rmg_restart.trimolecularReact = rmg.trimolecularReact
if rmg.filterReactions:
rmg_restart.unimolecularThreshold = rmg.unimolecularThreshold
rmg_restart.bimolecularThreshold = rmg.bimolecularThreshold
rmg_restart.trimolecularThreshold = rmg.trimolecularThreshold
f = open(path, 'wb')
cPickle.dump(rmg_restart, f, cPickle.HIGHEST_PROTOCOL)
f.close()
def saveRestartFile(path, rmg, delay=0):
"""
Save a restart file to `path` on disk containing the contents of the
provided `reactionModel`. The `delay` parameter is a time in seconds; if
the restart file is not at least that old, the save is aborted. (Use the
default value of 0 to force the restart file to be saved.)
"""
# Saving of a restart file is very slow (likely due to all the Quantity objects)
# Therefore, to save it less frequently, don't bother if the restart file is less than an hour old
if os.path.exists(path) and time.time() - os.path.getmtime(path) < delay:
logging.info('Not saving restart file in this iteration.')
return
# Pickle the reaction model to the specified file
# We also compress the restart file to save space (and lower the disk read/write time)
logging.info('Saving restart file...')
from rmgpy.rmg.main import RMG
rmg_restart = RMG()
rmg_restart.reactionModel = rmg.reactionModel
rmg_restart.unimolecularReact = rmg.unimolecularReact
rmg_restart.bimolecularReact = rmg.bimolecularReact
if rmg.filterReactions:
rmg_restart.unimolecularThreshold = rmg.unimolecularThreshold
rmg_restart.bimolecularThreshold = rmg.bimolecularThreshold
f = open(path, 'wb')
cPickle.dump(rmg_restart, f, cPickle.HIGHEST_PROTOCOL)
f.close()
