def calc_observables(rxncon_sys: RxnConSystem) -> List[Observable]:
def observable_complex(states: List[State]) -> Complex:
builder = ComplexExprBuilder()
assert all(x.is_structured for x in states)
for state in states:
for func in STATE_TO_COMPLEX_BUILDER_FN[type(state)]:
func(state, builder)
complexes = builder.build(only_reactants=False)
assert len(complexes) == 1
return complexes[0]
observables = []
output_rxns = [rxn for rxn in rxncon_sys.reactions if isinstance(rxn, OutputReaction)]
for rxn in output_rxns:
LOGGER.debug('{} : calculating observable {}'.format(current_function_name(), str(rxn)))
solns = Intersection(*(x.to_venn_set() for x
in rxncon_sys.contingencies_for_reaction(rxn))).calc_solutions()
positive_solns = [] # type: List[List[State]]
for soln in solns:
positive_solns += calc_positive_solutions(rxncon_sys, soln)
for index, positive_soln in enumerate(positive_solns):
LOGGER.debug('{} : solution {} : {}'.format(current_function_name(), index, positive_soln))
observables.append(Observable('{}{}'.format(rxn.name, index), observable_complex(positive_soln)))
return observables
def mol_defs_from_rxncon(rxncon_sys: RxnConSystem) -> List[MolDef]:
mol_defs = {}
for spec in rxncon_sys.components():
LOGGER.debug('{} : Creating MolDefBuilder for {}'.format(current_function_name(), str(spec)))
builder = MolDefBuilder(spec)
for state in rxncon_sys.states_for_component(spec):
LOGGER.debug('{} : Applying State {} of type {}'.format(current_function_name(), str(state), type(state)))
for func in STATE_TO_MOL_DEF_BUILDER_FN[type(state)]:
func(state, builder)
mol_defs[spec] = builder.build()
return list(mol_defs.values())
def _load_reaction_list(self) -> None:
sheet = self._xlrd_book.sheet_by_name(SHEET_REACTION_LIST)
reaction_rows = [row for row in sheet.get_rows()][DATA_ROW:]
for row in reaction_rows:
if not row[self._column_reaction_full_name].value:
logger.debug('{}: Empty row'.format(current_function_name()))
continue
logger.debug('{}: {}'.format(current_function_name(), row[self._column_reaction_full_name].value))
# When a verb such as 'ppi' is encountered, the function 'preprocessed_reaction_strs'
# will split it into 'ppi+' and 'ppi-'.
reaction_strs = split_bidirectional_reaction_str(row[self._column_reaction_full_name].value)
self._reactions += [reaction_from_str(x) for x in reaction_strs]
def with_connectivity_constraints(cont_set: VennSet[State]) -> VennSet:
complexes = calc_connected_complexes(cont_set.values)
complex_constraints = []
for complex in complexes: # pylint: disable=redefined-builtin
state_paths = calc_state_paths(complex)
constraint = UniversalSet() # type: VennSet[State]
for state in complex:
assert not state.is_global, 'Global state {} appearing in connectivity constraints.'.format(state)
if any(path == [] for path in state_paths[state]):
continue
state_constraints = [Complement(ValueSet(state))] # type: List[VennSet[State]]
for path in state_paths[state]:
state_constraints.append(Intersection(*(ValueSet(x) for x in path)))
constraint = Intersection(constraint, Union(*state_constraints)) # pylint: disable=redefined-variable-type
complex_constraints.append(constraint.to_simplified_set())
if complex_constraints:
LOGGER.debug('{} : Complex constraints {}'.format(current_function_name(), ' XOR '.join(str(x) for x in complex_constraints)))
return Intersection(cont_set, DisjunctiveUnion(*complex_constraints))
else:
return cont_set
def build(self, only_reactants: bool=True) -> List[Complex]:
complexes = []
LOGGER.debug('{} : Building complex with molecules {}'.format(current_function_name(),
' & '.join(str(spec) for spec in self._mol_builders.keys())))
LOGGER.debug('{} : Grouped specs are {}'.format(current_function_name(), ', '.join(str(x) for x in self._grouped_specs())))
for group in self._grouped_specs():
possible_complex = Complex([self._mol_builders[spec].build() for spec in group])
if not only_reactants or (only_reactants and possible_complex.is_reactant):
complexes.append(possible_complex)
LOGGER.debug('{} : Adding complex {}'.format(current_function_name(), possible_complex))
else:
LOGGER.info('{} : DISCONNECTED CONTINGENCY Reaction {} / Not adding complex {}'
.format(current_function_name(), self.reaction, possible_complex))
return complexes
def _dereference_boolean_contingency_effectors(
self: Effector, effector_table: Dict[str, Effector],
equivalence_table: Dict[str, List[Tuple[QualSpec, QualSpec]]]) -> None:
if isinstance(self, _BooleanContingencyEffector):
LOGGER.debug('{} : {}'.format(current_function_name(), self.expr))
LOGGER.debug('{} : {}'.format(current_function_name(), effector_table))
LOGGER.debug('{} : {}'.format(current_function_name(), self.equivs))
name = self.expr.name
equivs = self.equivs
self.__class__ = effector_table[self.expr.name].__class__
self.__dict__ = effector_table[self.expr.name].__dict__
self.name = name
try:
self.equivs.merge_with(equivs, [])
LOGGER.debug('{} : Merged structure information.'.format(
current_function_name()))
except AttributeError:
self.equivs = equivs
LOGGER.debug('{} : Initialized structure information.'.format(
current_function_name()))
elif isinstance(self, StateEffector):
pass
elif isinstance(self, NotEffector):
_dereference_boolean_contingency_effectors(self.expr, effector_table,
equivalence_table)
elif isinstance(self, OrEffector) or isinstance(self, AndEffector):
try:
assert self.name is not None
equivs_list = equivalence_table[self.name]
for equiv in equivs_list:
self.equivs.add_equivalence(*equiv)
except KeyError:
pass
for expr in self.exprs:
_dereference_boolean_contingency_effectors(expr, effector_table,
equivalence_table)
else:
raise AssertionError
def split_bidirectional_reaction_str(rxn_str: str) -> List[str]:
for verb in BIDIRECTIONAL_REACTIONS:
if '_{}_'.format(verb).lower() in rxn_str.lower():
verb = re.findall('(?i)_{}_'.format(verb), rxn_str)[0][1:-1]
logger.info('{}: {}'.format(current_function_name(), rxn_str))
return [
rxn_str.replace('_{}_'.format(verb), '_{}+_'.format(verb)),
rxn_str.replace('_{}_'.format(verb), '_{}-_'.format(verb)),
]
return [rxn_str]
def to_merged_struct_effector(self,
glob_equivs: StructEquivalences = None,
counter: StructCounter = None,
cur_namespace: List[str] = None) -> Effector:
glob_equivs, counter, cur_namespace = self._init_to_struct_effector_args(
glob_equivs, counter, cur_namespace)
state = deepcopy(self.expr)
updates = {}
assert not (
state.is_homodimer and not state.is_structured
), 'Please provide structure annotation for homodimer {}'.format(state)
LOGGER.debug('{} : Merging {}'.format(current_function_name(),
str(self)))
LOGGER.debug('{} : Equivs {}'.format(current_function_name(),
glob_equivs))
for spec in state.specs:
existing_spec = glob_equivs.find_unqualified_spec(
QualSpec(cur_namespace, spec))
if existing_spec:
updates[spec] = existing_spec
else:
new_spec = deepcopy(spec)
new_spec.struct_index = self._generate_index(
glob_equivs, counter)
updates[spec] = new_spec
glob_equivs.add_equivalence(QualSpec([], new_spec),
QualSpec(cur_namespace, spec))
state.update_specs(updates)
LOGGER.debug('{} : Result {}'.format(current_function_name(),
str(state)))
return StateEffector(state)
def _load_contingency_list_entries(self) -> None:
sheet = self._xlrd_book.sheet_by_name(SHEET_CONTINGENCY_LIST)
contingency_rows = [row for row in sheet.get_rows()][DATA_ROW:]
for row in contingency_rows:
if not row[self._column_contingency_target].value:
continue
# When a reaction with a verb such as 'ppi' is encountered, we only apply the contingency to the
# positive reaction.
target = row[self._column_contingency_target].value
if split_bidirectional_reaction_str(target) != [target]:
target = split_bidirectional_reaction_str(target)[0]
logger.info('{0}: applying contingency {1} to forward target {2}'
.format(current_function_name(), row[self._column_contingency_modifier].value, target))
entry = contingency_list_entry_from_strs(
target, row[self._column_contingency_type].value,
row[self._column_contingency_modifier].value
)
self._cont_list_entries.append(entry)
def expanded_effector(effector: Effector) -> Effector:
if isinstance(effector, StateEffector):
if effector.expr.is_elemental:
return effector
else:
elemental_states = [
state.to_structured_from_state(effector.expr)
for state in self.states
if state.is_subset_of(effector.expr)
]
assert elemental_states, 'Could not find elemental states which are subset of the non-elemental ' \
'state {}'.format(effector.expr)
assert all(state.is_elemental
for state in elemental_states)
LOGGER.info('{}: {} -> {}'.format(
current_function_name(), str(effector.expr),
' | '.join(str(x) for x in elemental_states)))
if len(elemental_states) == 1:
return StateEffector(elemental_states[0])
else:
return OrEffector(*(StateEffector(x)
for x in elemental_states),
name=str(effector.expr))
elif isinstance(effector, AndEffector):
return AndEffector(*(expanded_effector(x)
for x in effector.exprs),
name=effector.name,
equivs=effector.equivs)
elif isinstance(effector, OrEffector):
return OrEffector(*(expanded_effector(x)
for x in effector.exprs),
name=effector.name,
equivs=effector.equivs)
elif isinstance(effector, NotEffector):
return NotEffector(expanded_effector(effector.expr),
name=effector.name)
else:
raise AssertionError
def to_structured(self) -> 'Contingency':
LOGGER.debug('{}: {}'.format(current_function_name(), str(self)))
if isinstance(self.effector,
StateEffector) and self.effector.is_structured:
# A fully structured StateEffector is fine.
return self
elif isinstance(self.effector,
StateEffector) and not self.effector.is_structured:
# For a non-structured StateEffector, assume the Specs appearing in the Effector
# match those appearing in the Reaction.
equivs = StructEquivalences()
struct_components = {
spec.to_non_struct_spec(): spec
for spec in self.reaction.components_lhs_structured
}
for spec in self.effector.expr.specs:
try:
equivs.add_equivalence(
QualSpec([],
struct_components[spec.to_component_spec()]),
QualSpec([str(self.reaction)],
spec.to_component_spec()))
except KeyError:
pass
return self.with_merged_struct_effector(equivs, None,
[str(self.reaction)])
elif self.effector.is_structured:
# A fully structured Boolean Effector needs to have its structure indices merged.
return self.with_merged_struct_effector()
else:
# For a non-structured Boolean Effector, assume all Specs that could match, actually do match.
struct_components = {
spec.to_non_struct_spec(): spec
for spec in self.reaction.components_lhs_structured
}
equivs = TrivialStructEquivalences(struct_components) # pylint: disable=redefined-variable-type
return self.with_merged_struct_effector(equivs)
def contingency_list_entry_from_strs(subject_str: str, verb_str: str,
object_str: str) -> ContingencyListEntry:
subject_str, verb_str, object_str = subject_str.strip(), verb_str.lower(
).strip(), object_str.strip()
LOGGER.debug('{}: {} / {} / {}'.format(current_function_name(),
subject_str, verb_str, object_str))
subject = None # type: Optional[Union[Reaction, BooleanContingencyName]]
verb = None # type: Optional[Union[BooleanOperator, ContingencyType]]
object = None # type: Optional[Union[State, BooleanContingencyName, Tuple[QualSpec, QualSpec]]]
if re.match(BOOLEAN_CONTINGENCY_REGEX, subject_str):
# subject: Boolean contingency,
# verb : Boolean operator,
# object : State / Boolean contingency / Qual Spec pair.
subject = BooleanContingencyName(subject_str)
verb = BooleanOperator(verb_str)
else:
# subject: Reaction,
# verb : Contingency type,
# object : State / Boolean contingency.
subject = reaction_from_str(subject_str)
verb = ContingencyType(verb_str)
if re.match(BOOLEAN_CONTINGENCY_REGEX,
object_str) and not isinstance(subject, Reaction):
# subject: Boolean contingency,
# verb : Contingency type / Boolean operator,
# object : Boolean contingency.
object = BooleanContingencyName(object_str)
elif re.match(BOOLEAN_CONTINGENCY_REGEX,
object_str.split('#')[0]) and isinstance(subject, Reaction):
# subject: Reaction,
# verb : Contingency type,
# object : Boolean contingency + '#' + reactant equivs.
name = object_str.split('#')[0]
equivs_strs = [s.split(',') for s in object_str.split('#')[1:]]
equivs_dict = {
int(i):
qual_spec_from_str(qual_spec_str).with_prepended_namespace([name])
for i, qual_spec_str in equivs_strs
}
equivs = StructEquivalences()
for index, spec in enumerate(subject.components_lhs):
try:
equivs.add_equivalence(
QualSpec([], spec.with_struct_index(index)),
equivs_dict[index])
except KeyError:
pass
object = BooleanContingencyNameWithEquivs(name, equivs)
LOGGER.debug('{} : Created {}'.format(current_function_name(),
str(object)))
elif verb == BooleanOperator.op_eqv:
strs = [x.strip() for x in object_str.split(',')]
object = (qual_spec_from_str(strs[0]).with_prepended_namespace(
[subject.name]), qual_spec_from_str(
strs[1]).with_prepended_namespace([subject.name]))
else:
object = state_from_str(object_str)
assert subject is not None
assert verb is not None
assert object is not None
return ContingencyListEntry(subject, verb, object)
],
InteractionState: [
lambda state, builder: builder.add_mol(state.first),
lambda state, builder: builder.add_mol(state.second),
lambda state, builder: builder.set_bond(state.first, state.second)
],
SelfInteractionState: [
lambda state, builder: builder.add_mol(state.first),
lambda state, builder: builder.set_bond(state.first, state.second)
],
EmptyBindingState: [
lambda state, builder: builder.add_mol(state.spec),
lambda state, builder: builder.set_half_bond(state.spec, None)
],
GlobalState: [
lambda state, builder: LOGGER.warning('{} : IGNORING INPUT STATE {}'.format(current_function_name(), str(state)))
]
} # type: ignore
STATE_TO_MOL_DEF_BUILDER_FN = {
ModificationState: [
lambda state, builder: builder.add_site(state.spec),
lambda state, builder: builder.add_mod(state.spec, state.modifier)
],
InteractionState: [
lambda state, builder: builder.add_site(state.first) if builder.spec == state.first.to_component_spec()
else builder.add_site(state.second),
],
SelfInteractionState: [
lambda state, builder: builder.add_site(state.first),
def test_current_function_name() -> None:
assert current_function_name(colored=False) == 'test_current_function_name'
def rxngraph_from_rxncon_system(rxncon_system: RxnConSystem) -> ReactionGraph:
"""
Creating the reaction graph from the rxncon system.
Args:
rxncon_system: The reconstructed rxncon system.
Returns:
The reaction graph (ReactionGraph)
"""
def get_reaction_type(rxn: Reaction) -> EdgeType:
"""
Getting the type of a reaction.
Args:
rxn: Elemental rxncon reaction.
Returns:
The type of the reaction (EdgeType)
"""
if len(rxn.components_lhs) > len(rxn.components_rhs):
return EdgeType.degradation
elif len(rxn.components_lhs) < len(rxn.components_rhs):
return EdgeType.synthesis
elif len(rxn.produced_states) == 1:
return STATES[type(rxn.produced_states[0])]
elif len(rxn.produced_states) == 2:
if all(STATES[type(produced_state)] == EdgeType.modification for produced_state in rxn.produced_states):
return EdgeType.bimodification
elif all(STATES[type(produced_state)] == EdgeType.interaction for produced_state in rxn.produced_states):
return EdgeType.interaction
else:
return EdgeType.unknown
else:
return EdgeType.unknown
def add_reaction_to_graph(rxn: Reaction) -> None:
"""
Adding a reaction to the reaction graph.
Args:
rxn: Elemental rxncon reaction.
Returns:
None
"""
edge_type = get_reaction_type(rxn)
if edge_type is EdgeType.synthesis:
for syn_comp in rxn.synthesised_components:
logger.info('Adding synthesis of {0} -> {1}'.format(rxn['$x'], syn_comp))
builder.add_spec_information(rxn['$x'])
builder.add_spec_information(syn_comp)
builder.add_external_edge(rxn['$x'], syn_comp, edge_type)
else:
logger.info('Adding {2} of {0} -> {1}'.format(rxn['$x'], rxn['$y'], get_reaction_type(rxn)))
builder.add_spec_information(rxn['$x'])
builder.add_spec_information(rxn['$y'])
builder.add_external_edge(rxn['$x'], rxn['$y'], get_reaction_type(rxn))
builder = GraphBuilder()
for reaction in rxncon_system.reactions:
if not isinstance(reaction, OutputReaction):
logger.debug('{}: {}'.format(current_function_name(), str(reaction)))
add_reaction_to_graph(reaction)
return ReactionGraph(builder.get_graph())
def rule_based_model_from_rxncon(rxncon_sys: RxnConSystem) -> RuleBasedModel: # pylint: disable=too-many-locals
def mol_defs_from_rxncon(rxncon_sys: RxnConSystem) -> List[MolDef]:
mol_defs = {}
for spec in rxncon_sys.components():
LOGGER.debug('{} : Creating MolDefBuilder for {}'.format(current_function_name(), str(spec)))
builder = MolDefBuilder(spec)
for state in rxncon_sys.states_for_component(spec):
LOGGER.debug('{} : Applying State {} of type {}'.format(current_function_name(), str(state), type(state)))
for func in STATE_TO_MOL_DEF_BUILDER_FN[type(state)]:
func(state, builder)
mol_defs[spec] = builder.build()
return list(mol_defs.values())
def remove_global_states(solutions: List[Dict[State, bool]]) -> List[Dict[State, bool]]:
filtered_solutions = [] # type: List[Dict[State, bool]]
for soln in solutions:
cleaned_solution = {}
for state, val in soln.items():
if state.is_global:
LOGGER.warning('{} : REMOVING INPUT STATE {} from contingencies.'.format(current_function_name(), state))
else:
cleaned_solution[state] = val
if cleaned_solution not in filtered_solutions:
filtered_solutions.append(cleaned_solution)
return filtered_solutions
def is_satisfiable(states: Iterable[State]) -> bool:
for pair in combinations(states, 2):
if pair[0].is_mutually_exclusive_with(pair[1]):
return False
return True
def calc_positive_solutions(rxncon_sys: RxnConSystem, solution: Dict[State, bool]) -> List[List[State]]:
def complementary_state_combos(state: State) -> List[List[State]]:
combos = product(
*(rxncon_sys.complement_states_for_component(spec.to_component_spec(), state) for spec in
state.specs))
return [list(combo) for combo in combos if is_satisfiable(combo)]
def structure_states(states: List[State]) -> List[State]:
cur_index = max(spec.struct_index for state in states for spec in state.specs if spec.is_structured)
assert cur_index is not None
spec_to_index = {} # type: Dict[Spec, int]
struct_states = [] # type: List[State]
for state in states:
if state.is_structured:
struct_states.append(state)
continue
for spec in state.specs:
if spec.is_structured:
continue
try:
state = state.to_structured_from_spec(spec.with_struct_index(spec_to_index[spec.to_component_spec()]))
except KeyError:
cur_index += 1
state = state.to_structured_from_spec(spec.with_struct_index(cur_index))
spec_to_index[spec.to_component_spec()] = cur_index
struct_states.append(state)
return struct_states
ordered_solution = OrderedDict(sorted(solution.items(), key=lambda x: x[0]))
trues = [state for state, val in ordered_solution.items() if val]
falses = [state for state, val in ordered_solution.items() if not val
and not any(state.is_mutually_exclusive_with(x) for x in trues)]
if not falses:
return [trues] if is_satisfiable(trues) else []
positivized_falses = [list(chain(*x)) for x in
product(*(complementary_state_combos(state) for state in falses))]
solutions = []
for positivized_false in positivized_falses:
possible_solution = [] # type: List[State]
for soln_state in structure_states(trues + positivized_false):
if soln_state not in possible_solution:
possible_solution.append(soln_state)
if is_satisfiable(possible_solution):
solutions.append(possible_solution)
return solutions
def calc_rule(reaction: Reaction, cont_soln: List[State]) -> Rule:
def calc_complexes(terms: List[ReactionTerm], states: List[State]) -> List[Complex]:
if not all(x.is_structured for x in states):
unstructs = [x for x in states if not x.is_structured]
raise AssertionError('Error in building rule for Reaction {}, States {} appear unstructured'
.format(str(reaction), ', '.join(str(x) for x in unstructs)))
if not is_satisfiable(cont_soln):
raise AssertionError('Cannot satisfy contingencies {} simultaneously'.format(' & '.join(str(s) for s in cont_soln)))
states = copy(states)
builder = ComplexExprBuilder(reaction=reaction)
struct_index = 0
for term in terms:
struct_states = deepcopy(term.states)
for spec in term.specs:
struct_spec = copy(spec)
struct_spec.struct_index = struct_index
builder.add_mol(struct_spec, is_reactant=True)
struct_states = [state.to_structured_from_spec(struct_spec) for state in struct_states]
struct_index += 1
states += struct_states
assert all(x.is_structured for x in states)
for state in states:
for func in STATE_TO_COMPLEX_BUILDER_FN[type(state)]:
func(state, builder)
return builder.build()
lhs = calc_complexes(reaction.terms_lhs, cont_soln)
rhs = calc_complexes(reaction.terms_rhs, cont_soln)
rate = Parameter('k', '1.0')
return Rule(lhs, rhs, rate, parent_reaction=reaction)
def calc_initial_conditions(mol_defs: List[MolDef]) -> List[InitialCondition]:
return \
[InitialCondition(mol_def.create_neutral_complex(),
Parameter('Num{}'.format(mol_def.name), str(INITIAL_MOLECULE_COUNT))) for mol_def in mol_defs]
def calc_observables(rxncon_sys: RxnConSystem) -> List[Observable]:
def observable_complex(states: List[State]) -> Complex:
builder = ComplexExprBuilder()
assert all(x.is_structured for x in states)
for state in states:
for func in STATE_TO_COMPLEX_BUILDER_FN[type(state)]:
func(state, builder)
complexes = builder.build(only_reactants=False)
assert len(complexes) == 1
return complexes[0]
observables = []
output_rxns = [rxn for rxn in rxncon_sys.reactions if isinstance(rxn, OutputReaction)]
for rxn in output_rxns:
LOGGER.debug('{} : calculating observable {}'.format(current_function_name(), str(rxn)))
solns = Intersection(*(x.to_venn_set() for x
in rxncon_sys.contingencies_for_reaction(rxn))).calc_solutions()
positive_solns = [] # type: List[List[State]]
for soln in solns:
positive_solns += calc_positive_solutions(rxncon_sys, soln)
for index, positive_soln in enumerate(positive_solns):
LOGGER.debug('{} : solution {} : {}'.format(current_function_name(), index, positive_soln))
observables.append(Observable('{}{}'.format(rxn.name, index), observable_complex(positive_soln)))
return observables
LOGGER.debug('{} : Entered function'.format(current_function_name()))
mol_defs = mol_defs_from_rxncon(rxncon_sys)
LOGGER.debug('{} : Generated MolDefs: {}'.format(current_function_name(), ', '.join(str(mol_def) for mol_def in mol_defs)))
rules = [] # type: List[Rule]
for reaction in (x for x in rxncon_sys.reactions if not isinstance(x, OutputReaction)):
LOGGER.debug('{} : Generating rules for reaction {}'.format(current_function_name(), str(reaction)))
strict_cont_set = Intersection(*(x.to_venn_set() for x in
rxncon_sys.s_contingencies_for_reaction(reaction))) # type: VennSet[State]
quant_contingencies = QuantContingencyConfigs(rxncon_sys.q_contingencies_for_reaction(reaction))
LOGGER.debug('{} : Strict contingencies {}'.format(current_function_name(), str(strict_cont_set)))
for quant_contingency_set in quant_contingencies:
LOGGER.debug('{} : quantitative contingency config: {}'.format(current_function_name(), str(quant_contingency_set)))
cont_set = Intersection(strict_cont_set, quant_contingency_set) # type: VennSet[State]
cont_set = with_connectivity_constraints(cont_set)
solutions = cont_set.calc_solutions()
solutions = remove_global_states(solutions)
LOGGER.debug('{} : contingency solutions {}'.format(current_function_name(), str(solutions)))
positive_solutions = [] # type: List[List[State]]
for solution in solutions:
positive_solutions += calc_positive_solutions(rxncon_sys, solution)
for positive_solution in positive_solutions:
LOGGER.debug('{} : positivized contingency solution {}'
.format(current_function_name(), ' & '.join(str(x) for x in positive_solution)))
rule = calc_rule(reaction, positive_solution)
if not any(rule.is_equivalent_to(existing) for existing in rules):
rules.append(rule)
return RuleBasedModel(mol_defs, calc_initial_conditions(mol_defs), [], calc_observables(rxncon_sys), rules)
def remove_global_states(solutions: List[Dict[State, bool]]) -> List[Dict[State, bool]]:
filtered_solutions = [] # type: List[Dict[State, bool]]
for soln in solutions:
cleaned_solution = {}
for state, val in soln.items():
if state.is_global:
LOGGER.warning('{} : REMOVING INPUT STATE {} from contingencies.'.format(current_function_name(), state))
else:
cleaned_solution[state] = val
if cleaned_solution not in filtered_solutions:
filtered_solutions.append(cleaned_solution)
return filtered_solutions
