class MolPool(object):
def __init__(self, calc, nproc):
self.pool = Pool(nproc)
self.mgr = Manager()
self.calc = calc
self.calc_proxy = self.mgr.list([calc])
self.nproc = nproc
def __enter__(self):
self.mgr.__enter__()
return self
def __exit__(self, *args, **kwargs):
self.pool.terminate()
self.mgr.__exit__(*args, **kwargs)
def map(self, mols, id):
return MolIterator(self, mols, id, self.nproc * 2 + 10)
def submit(self, mol, id):
cxt = Context.from_calculator(self.calc, mol, id)
return self.pool.apply_async(worker, (self.calc_proxy, cxt))
