def pysb_to_gromet(pysb_model, model_name, statements=None, fname=None):
"""Convert PySB model to GroMEt object and save it to a JSON file.
Parameters
----------
pysb_model : pysb.Model
PySB model object.
model_name : str
A name of EMMAA model.
statements : Optional[list[indra.statements.Statement]]
A list of INDRA Statements a PySB model was assembled from. If
provided the statement hashes will be propagated into GroMEt metadata.
fname : Optional[str]
If given, the GroMEt will be dumped into JSON file.
Returns
-------
g : automates.script.gromet.gromet.Gromet
A GroMEt object built from PySB model.
"""
from gromet import Gromet, gromet_to_json, \
Junction, Wire, UidJunction, UidType, UidWire, Relation, \
UidBox, UidGromet, Literal, Val
from gromet_metadata import IndraAgent, IndraAgentReferenceSet, \
ReactionReference, UidMetadatum, MetadatumMethod, Provenance, \
get_current_datetime, ModelInterface
from pysb import Parameter, WILD
from pysb.bng import generate_equations
logger.info('Generating equations ...')
generate_equations(pysb_model)
logger.info('Creating GroMEt')
junctions = []
wires = []
# Get all species values
species_values = {}
for initial in pysb_model.initials:
ix = pysb_model.get_species_index(initial.pattern)
if initial.value:
species_values[ix] = Literal(uid=None,
type=UidType("Integer"),
value=Val(initial.value.value),
name=None,
metadata=None)
# Get groundings for monomers
groundings_by_monomer = {}
# Build up db_refs for each monomer object
for ann in pysb_model.annotations:
if ann.predicate == 'is':
m = ann.subject
db_name, db_id = parse_identifiers_url(ann.object)
if m in groundings_by_monomer:
groundings_by_monomer[m][db_name] = db_id
else:
groundings_by_monomer[m] = {db_name: db_id}
# Store species names to refer later
species_nodes = [str(sp) for sp in pysb_model.species]
# Add all species junctions
for ix, sp in enumerate(pysb_model.species):
# Map to a list of agents
agents = []
for mp in sp.monomer_patterns:
mods = []
if hasattr(mp.monomer, 'site_annotations'):
for site, state in mp.site_conditions.items():
if isinstance(state, tuple) and state[1] == WILD:
state = state[0]
mod, mod_type, res, pos = None, None, None, None
for ann in mp.monomer.site_annotations:
if ann.subject == (site, state):
mod_type = ann.object
elif ann.subject == site and \
ann.predicate == 'is_residue':
res = ann.object
if ann.subject == site and \
ann.predicate == 'is_position':
pos = ann.object
if mod_type:
not_mod, mod = states[mod_type]
if state == mod:
is_mod = True
elif state == not_mod:
is_mod = False
else:
logger.warning('Unknown state %s for %s, '
'setting as not modified' %
(state, mod_type))
is_mod = False
mod = ModCondition(mod_type, res, pos, is_mod)
if mod:
mods.append(mod)
if not mods:
mods = None
ag = Agent(mp.monomer.name,
mods=mods,
db_refs=groundings_by_monomer.get(mp.monomer))
agents.append(ag)
agent_metadata = IndraAgentReferenceSet(
uid=UidMetadatum(f'{species_nodes[ix]}_metadata'),
provenance=Provenance(method=MetadatumMethod('from_emmaa_model'),
timestamp=get_current_datetime()),
indra_agent_references=[IndraAgent(ag.to_json()) for ag in agents])
junctions.append(
Junction(uid=UidJunction(f'J:{species_nodes[ix]}'),
type=UidType('State'),
name=species_nodes[ix],
value=species_values.get(ix),
value_type=UidType('Integer'),
metadata=[agent_metadata]))
# Add wires for each reaction
rate_counts = defaultdict(int)
for rxn in pysb_model.reactions:
rate_params = [
rate_term for rate_term in rxn['rate'].args
if isinstance(rate_term, Parameter)
]
assert len(rate_params) == 1
rate = rate_params[0].name
rate_counts[rate] += 1
rate_node = f'{rate}:{rate_counts[rate]}'
# Get metadata for rate node
assert len(rxn['rule']) == 1
assert len(rxn['reverse']) == 1
rule = rxn['rule'][0]
reverse = rxn['reverse'][0]
if statements:
stmt = stmt_from_rule(rule, pysb_model, statements)
# Add rate junction for a reaction (uid and name are the same for now)
reaction_metadata = ReactionReference(
uid=UidMetadatum(f'{rate_node}_metadata'),
provenance=Provenance(method=MetadatumMethod('from_emmaa_model'),
timestamp=get_current_datetime()),
indra_stmt_hash=stmt.get_hash(),
reaction_rule=rule,
is_reverse=reverse)
wire_count = defaultdict(int)
junctions.append(
Junction(uid=UidJunction(f'J:{rate_node}'),
type=UidType('Rate'),
name=rate,
value=Literal(uid=None,
type=UidType("Float"),
value=Val(rate_params[0].value),
name=None,
metadata=None),
value_type=UidType('Float'),
metadata=[reaction_metadata]))
# Add wires from reactant to rate
for reactant_ix in rxn['reactants']:
reactant = species_nodes[reactant_ix]
wire = f'{reactant}_{rate_node}'
wire_count[wire] += 1
wires.append(
Wire(uid=UidWire(f'W:{wire}:w{wire_count[wire]}'),
type=None,
value_type=None,
name=None,
value=None,
metadata=None,
src=UidJunction(f'J:{reactant}'),
tgt=UidJunction(f'J:{rate_node}')))
# Add wires from rate to product
for prod_ix in rxn['products']:
prod = species_nodes[prod_ix]
wire = f'{rate_node}_{prod}'
wire_count[wire] += 1
wires.append(
Wire(uid=UidWire(f'W:{wire}:w{wire_count[wire]}'),
type=None,
value_type=None,
name=None,
value=None,
metadata=None,
src=UidJunction(f'J:{rate_node}'),
tgt=UidJunction(f'J:{prod}')))
# Create relation
pnc = Relation(
uid=UidBox(model_name),
type=UidType("PetriNetClassic"),
name=model_name,
ports=None,
# contents
junctions=[j.uid for j in junctions],
wires=[w.uid for w in wires],
boxes=None,
metadata=None)
boxes = [pnc]
# Create model interface metadata
model_interface = \
ModelInterface(
uid=UidMetadatum(f'{model_name}_model_interface'),
provenance=Provenance(method=MetadatumMethod('from_emmaa_model'),
timestamp=get_current_datetime()),
variables=[j.uid for j in junctions],
parameters=[j.uid for j in junctions if j.type == 'Rate'],
initial_conditions=[j.uid for j in junctions if j.type == 'State'])
# Create Gromet object
g = Gromet(uid=UidGromet(f'{model_name}_pnc'),
name=model_name,
type=UidType("PetriNetClassic"),
root=pnc.uid,
types=None,
literals=None,
junctions=junctions,
ports=None,
wires=wires,
boxes=boxes,
variables=None,
metadata=[model_interface])
logger.info('Created GroMEt')
# Optionally save Gromet to JSON file
if fname:
gromet_to_json(g, fname)
return g
