Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Store the compartment for created metabolites #1420

Merged
merged 4 commits into from
Jan 8, 2025
Merged
Show file tree
Hide file tree
Changes from 2 commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
3 changes: 3 additions & 0 deletions release-notes/next-release.md
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,9 @@

Fixes failures of GPR.copy() in Python 3.13.

Fix compartment not being stored for metabolites created during
reaction.build_reaction_from_string

## Other

## Deprecated features
Expand Down
2 changes: 1 addition & 1 deletion src/cobra/core/reaction.py
Original file line number Diff line number Diff line change
Expand Up @@ -1615,7 +1615,7 @@ def build_reaction_from_string(
except KeyError:
if verbose:
print(f"unknown metabolite '{met_id}' created")
met = Metabolite(met_id)
met = Metabolite(met_id, compartment=compartment or None)
self.add_metabolites({met: num})

def summary(
Expand Down
12 changes: 12 additions & 0 deletions tests/test_core/test_core_reaction.py
Original file line number Diff line number Diff line change
Expand Up @@ -380,6 +380,18 @@ def test_build_from_string(model: Model) -> None:
assert pgi.bounds == (0, 1000)


def test_build_from_string_creating_metabolites() -> None:
# https://github.com/opencobra/cobrapy/issues/1418
oxinabox marked this conversation as resolved.
Show resolved Hide resolved
model = Model()
reaction = Reaction("R1")
model.add_reactions([reaction])
reaction.build_reaction_from_string("[c]: a --> b")
assert len(model.metabolites) == 2
assert model.metabolites.a.compartment == "c"
assert model.metabolites.b.compartment == "c"
assert model.reaction.R1.compartments == set(["c"])


def test_bounds_setter(model: Model) -> None:
"""Test reaction bounds setter."""
rxn = model.reactions.get_by_id("PGI")
Expand Down
Loading