def run():
count = 500
for i in umpf.map(umpf_test.f, xrange(count), xrange(count+2)):
i
boris = umpf_test.Boris()
for i in umpf.map(boris.g, xrange(count), xrange(count+2)):
i
for i in umpf.map(boris, xrange(count), xrange(count+2)):
i
def do(self, count):
"""
Enumerate all possible reactant collections and determine products
via :py:meth:`achemkit.achem.AChem.all_reactions`.
Uses :py:mod:`umpf` for parallelism.
:param integer count: Maximum number of additional molecular species to
discover.
:rtype: yields :py:class:`achemkit.Event` objects.
"""
self.maxmols += count
while len(self.mols) < self.maxmols and len(self.untested) > 0:
untested = tuple(self.untested)
self.untested = []
results = umpf.map(self.achem.all_reactions, untested)
while len(self.mols) < self.maxmols:
try:
reactions = results.next()
except StopIteration:
break
else:
for reaction in reactions:
reactants, products = reaction
e = Event(0.0, reactants, products, reactions[reaction])
yield e
for product in products:
self.add_mol(product)
def do(self, count):
"""
Enumerate all possible reactant collections and determine products
via :py:meth:`achemkit.achem.AChem.all_reactions`.
Uses :py:mod:`umpf` for parallelism.
:param integer count: Maximum number of additional molecular species to
discover.
:rtype: yields :py:class:`achemkit.Event` objects.
"""
self.maxmols += count
while len(self.mols) < self.maxmols and len(self.untested) > 0:
untested = tuple(self.untested)
self.untested = []
results = umpf.map(self.achem.all_reactions, untested)
while len(self.mols) < self.maxmols:
try:
reactions = next(results)
except StopIteration:
break
else:
for reaction in reactions:
reactants, products = reaction
e = Event(0.0, reactants, products,
reactions[reaction])
yield e
for product in products:
self.add_mol(product)
def do(self, time):
"""
Assign all molecules to a collection of reactants. Use the combined
collections of products as the new molecules.
Uses :py:mod:`umpf` for parallelism.
:param float time: Time to simulate, at a rate of one step per unit.
:rtype: yields :py:class:`achemkit.Event` objects.
"""
self.maxtime += time
while self.time < self.maxtime:
self.mols = tuple(self.rng.sample(self.mols, len(self.mols)))
newmols = ()
allreactants = []
while len(self.mols) > 0:
noreactants = get_sample(self.achem.noreactants)
if noreactants <= len(self.mols):
reactants = self.mols[:noreactants]
self.mols = self.mols[noreactants:]
allreactants.append(OrderedFrozenBag(reactants))
else:
break
allproducts = umpf.map(self.achem.react, allreactants)
results = itertools.izip(allreactants, allproducts)
for reactants, products in results:
e = Event(self.time, reactants, products)
newmols += tuple(products)
yield e
self.mols = newmols
self.time += 1.0
def do(self, time):
"""
Assign all molecules to a collection of reactants. Use the combined
collections of products as the new molecules.
Uses :py:mod:`umpf` for parallelism.
:param float time: Time to simulate, at a rate of one step per unit.
:rtype: yields :py:class:`achemkit.Event` objects.
"""
self.maxtime += time
while self.time < self.maxtime:
self.mols = tuple(self.rng.sample(self.mols, len(self.mols)))
newmols = ()
allreactants = []
while len(self.mols) > 0:
noreactants = get_sample(self.achem.noreactants)
if noreactants <= len(self.mols):
reactants = self.mols[:noreactants]
self.mols = self.mols[noreactants:]
allreactants.append(OrderedFrozenBag(reactants))
else:
break
allproducts = umpf.map(self.achem.react, allreactants)
results = zip(allreactants, allproducts)
for reactants, products in results:
e = Event(self.time, reactants, products)
newmols += tuple(products)
yield e
self.mols = newmols
self.time += 1.0
