Skip to content

Fix metabolicTasks_Full.txt so it parses with parseTaskList#1070

Open
edkerk wants to merge 2 commits into
developfrom
fix/metabolicTasks-Full-parse
Open

Fix metabolicTasks_Full.txt so it parses with parseTaskList#1070
edkerk wants to merge 2 commits into
developfrom
fix/metabolicTasks-Full-parse

Conversation

@edkerk

@edkerk edkerk commented Jul 18, 2026

Copy link
Copy Markdown
Member

data/metabolicTasks/metabolicTasks_Full.txt does not parse with the current RAVEN parseTaskList. Unlike metabolicTasks_Essential.txt, it is missing the leading empty column (17 vs 20 columns), so the entire file is read as a single task (parseTaskList returns 1). Any workflow that uses the full task list — e.g. compareMultipleModels(..., true, taskFile) — then fails with:

The constraints on some input(s) in "[] " are defined more than one time

This PR adds the leading column so the format matches metabolicTasks_Essential.txt. After the fix, parseTaskList returns 257 tasks and compareMultipleModels runs against the full list.

Only the leading column is added; no task definitions are changed. (Every line is touched because the column is prepended to each row.)

The full metabolic task list was missing the leading (empty) column that
metabolicTasks_Essential.txt has, so RAVEN parseTaskList read the whole file as
a single task. Add the leading column to align the format; parseTaskList now
returns 257 tasks and compareMultipleModels runs against the full list. No task
definitions are changed.
@github-actions

github-actions Bot commented Jul 18, 2026

Copy link
Copy Markdown

Model quality report

⚠️ 6 pre-existing finding(s), no regressions vs develop. Non-blocking.

Each check name links to its explanation in the testResults README.

Model checks

Duplicate keys (model unloadable) and no growth block the merge; every other row is a non-blocking report.

Check Result Δ vs develop
Duplicate !!omap keys 0 0
Growth (biomass producible) 125 0
Reactions with no metabolites 0 0
Model / annotation-table inconsistencies 0 0
Removed reactions or metabolites not deprecated 0 0
Metabolites missing formula 0 0
Metabolites missing charge 0 0
Reaction bound / GPR issues 0 0
Exact-duplicate reaction groups 0 0
Unused metabolites 0 0
Unused genes 0 0
Malformed cross-references 0 0
Cross-refs inconsistent across compartments 3 0 ⚠️

MACAW and mass/charge balance

Check Result Δ vs develop
Reactions flagged by MACAW dead-end test 2510 0 ⚠️
Reactions flagged as MACAW duplicates 377 0 ⚠️
Mass-imbalanced reactions 87 0 ⚠️
Charge-imbalanced reactions 234 0 ⚠️
Structure vs formula/charge inconsistencies 397 0 ⚠️

Model file and metabolic tasks

Check Result
YAML round-trip (cobrapy) pass
YAML round-trip (RAVEN) pass
YAML lint pass
Essential metabolic tasks 57 passed
Verification metabolic tasks 21 passed

MEMOTE

Total score: 63.2% (core subset)   0

Section Score Δ vs base
consistency 42.4% 0
annotation_met 73.0% 0
annotation_rxn 72.7% 0
annotation_gene 46.7% 0
annotation_sbo 81.7% 0
Per-test scores
Section Test Score
Consistency Stoichiometric Consistency 100.0%
Consistency Mass Balance 0.8%
Consistency Charge Balance 2.1%
Consistency Metabolite Connectivity 0.0%
Consistency Unbounded Flux In Default Medium 100.0%
Annotation - Metabolites Presence of Metabolite Annotation 0.0%
Annotation - Metabolites Metabolite Annotations Per Database 62.3%
Annotation - Metabolites Metabolite Annotation Conformity Per Database 45.8%
Annotation - Metabolites Uniform Metabolite Identifier Namespace 0.0%
Annotation - Reactions Presence of Reaction Annotation 0.0%
Annotation - Reactions Reaction Annotations Per Database 75.9%
Annotation - Reactions Reaction Annotation Conformity Per Database 33.3%
Annotation - Reactions Uniform Reaction Identifier Namespace 0.0%
Annotation - Genes Presence of Gene Annotation 0.0%
Annotation - Genes Gene Annotations Per Database 80.0%
Annotation - Genes Gene Annotation Conformity Per Database 80.0%
Annotation - SBO Terms Metabolite General SBO Presence 0.0%
Annotation - SBO Terms Metabolite SBO:0000247 Presence 0.1%
Annotation - SBO Terms Reaction General SBO Presence 0.0%
Annotation - SBO Terms Metabolic Reaction SBO:0000176 Presence 0.0%
Annotation - SBO Terms Transport Reaction SBO:0000185 Presence 0.7%
Annotation - SBO Terms Exchange Reaction SBO:0000627 Presence 0.0%
Annotation - SBO Terms Demand Reaction SBO:0000628 Presence 100.0%
Annotation - SBO Terms Sink Reactions SBO:0000632 Presence 100.0%
Annotation - SBO Terms Gene General SBO Presence 0.0%
Annotation - SBO Terms Gene SBO:0000243 Presence 0.0%
Annotation - SBO Terms Biomass Reactions SBO:0000629 Presence 0.0%

Full suite: 64.2%   0 · from the last /run memote.

The score above is the fast core subset. Comment /run memote to run the full suite on this pull request; the score updates here when it finishes.

Gene essentiality (Hart 2015)

Not run automatically (it takes hours). Comment /run gene-essentiality to run it on this pull request; the result posts as its own comment.

❌ = a count rose vs the target branch (regression) · ⚠️ = a pre-existing non-zero finding (non-blocking) · ⏳ = still running. Counts link to the CSV listing the exact entries.

Full workflow run · this comment is edited as results come in

@edkerk edkerk added this to the 2.1.0 milestone Jul 18, 2026
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

1 participant