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3 changes: 3 additions & 0 deletions .github/workflows/tests.yml
Original file line number Diff line number Diff line change
Expand Up @@ -28,6 +28,9 @@ jobs:
- name: Check with petablint
run: bmp-petablint

- name: Check TSV format
run: bmp-check-tsv-format

- name: Show overview
run: bmp-create-overview

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17 changes: 16 additions & 1 deletion .pre-commit-config.yaml
Original file line number Diff line number Diff line change
@@ -1,40 +1,55 @@
files: src/python
repos:
- repo: https://github.com/pre-commit/pre-commit-hooks
rev: v4.6.0
hooks:
- id: check-yaml
description: Check yaml files for parseable syntax
files: ^src/python/

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Unfortunate that it doesn't look easy to have separate pre-commit configs for the Python code and the PEtab problems.

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I didn't find a more convenient option either, but I think it's quite manageable...

- id: check-added-large-files
description: Prevent large files from being committed
files: ^src/python/
- id: check-merge-conflict
description: Check for files that contain merge conflict strings
files: ^src/python/
- id: check-symlinks
description: Check for symlinks which do not point to anything
files: ^src/python/
- id: check-executables-have-shebangs
description: Check that (non-binary) executables have shebangs
files: ^src/python/
- id: detect-private-key
description: Detects the presence of private keys
files: ^src/python/
- id: end-of-file-fixer
description: Fix empty lines at ends of files
# also cover the PEtab TSV data files, not just src/python
files: (^src/python/|\.tsv$)
- id: mixed-line-ending
description: Replace or check mixed line endings
args: [--fix=lf]
files: (^src/python/|\.tsv$)
- id: trailing-whitespace
description: Trim trailing whitespaces
# not extended to *.tsv: a trailing tab there is a legitimate empty
# last field, not whitespace to strip (checked by bmp-check-tsv-format
# instead, which is field-aware)
files: ^src/python/

- repo: https://github.com/astral-sh/ruff-pre-commit
# Ruff version.
rev: v0.6.7
hooks:
# Run the linter.
- id: ruff
files: ^src/python/
args:
- --fix
- --config
- src/python/pyproject.toml

# Run the formatter.
- id: ruff-format
files: ^src/python/
args:
- --config
- src/python/pyproject.toml
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@@ -1,25 +1,25 @@
plotId plotName plotTypeSimulation plotTypeData datasetId xValues xOffset xLabel yValues yOffset yLabel legendEntry xScale yScale
plot1 SN38 – pATM LinePlot MeanAndSD model1_data24_SN38_pATM time 0 Time [hours] pATM_au 0 Signal (au) SN38 0.01µm lin lin
plot1 SN38 – pATM LinePlot MeanAndSD model1_data25_pATM time 0 Time [hours] pATM_au 0 Signal (au) SN38 0.05µm lin lin
plot1 SN38 – pATM LinePlot MeanAndSD model1_data26_pATM time 0 Time [hours] pATM_au 0 Signal (au) SN38 0.1µm lin lin
plot2 SN38 – pDNAPK LinePlot MeanAndSD model1_data24_SN38_pDNAPK time 0 Time [hours] pDNAPK_au 0 Signal (au) SN38 0.01µm lin lin
plot2 SN38 – pDNAPK LinePlot MeanAndSD model1_data25_pDNAPK time 0 Time [hours] pDNAPK_au 0 Signal (au) SN38 0.05µm lin lin
plot2 SN38 – pDNAPK LinePlot MeanAndSD model1_data26_pDNAPK time 0 Time [hours] pDNAPK_au 0 Signal (au) SN38 0.1µm lin lin
plot3 SN38 – pChk1_au LinePlot MeanAndSD model1_data24_SN38_pChk1 time 0 Time [hours] pChk1_au 0 Signal (au) SN38 0.01µm lin lin
plot3 SN38 – pChk1_au LinePlot MeanAndSD model1_data25_pChk1 time 0 Time [hours] pChk1_au 0 Signal (au) SN38 0.05µm lin lin
plot3 SN38 – pChk1_au LinePlot MeanAndSD model1_data26_pChk1 time 0 Time [hours] pChk1_au 0 Signal (au) SN38 0.1µm lin lin
plot4 SN38 – pChk2_au LinePlot MeanAndSD model1_data24_SN38_pChk2 time 0 Time [hours] pChk2_au 0 Signal (au) SN38 0.01µm lin lin
plot4 SN38 – pChk2_au LinePlot MeanAndSD model1_data25_pChk2 time 0 Time [hours] pChk2_au 0 Signal (au) SN38 0.05µm lin lin
plot4 SN38 – pChk2_au LinePlot MeanAndSD model1_data26_pChk2 time 0 Time [hours] pChk2_au 0 Signal (au) SN38 0.1µm lin lin
plot5 SN38 – tp53_au LinePlot MeanAndSD model1_data24_SN38_tp53 time 0 Time [hours] tp53_au 0 Signal (au) SN38 0.01µm lin lin
plot5 SN38 – tp53_au LinePlot MeanAndSD model1_data25_tp53 time 0 Time [hours] tp53_au 0 Signal (au) SN38 0.05µm lin lin
plot5 SN38 – tp53_au LinePlot MeanAndSD model1_data26_tp53 time 0 Time [hours] tp53_au 0 Signal (au) SN38 0.1µm lin lin
plot6 SN38 – pp53_au LinePlot MeanAndSD model1_data24_SN38_pp53 time 0 Time [hours] pp53_au 0 Signal (au) SN38 0.01µm lin lin
plot6 SN38 – pp53_au LinePlot MeanAndSD model1_data25_pp53 time 0 Time [hours] pp53_au 0 Signal (au) SN38 0.05µm lin lin
plot6 SN38 – pp53_au LinePlot MeanAndSD model1_data26_pp53 time 0 Time [hours] pp53_au 0 Signal (au) SN38 0.1µm lin lin
plot7 SN38 – tp21_au LinePlot MeanAndSD model1_data24_SN38_tp21 time 0 Time [hours] tp21_au 0 Signal (au) SN38 0.01µm lin lin
plot7 SN38 – tp21_au LinePlot MeanAndSD model1_data25_tp21 time 0 Time [hours] tp21_au 0 Signal (au) SN38 0.05µm lin lin
plot7 SN38 – tp21_au LinePlot MeanAndSD model1_data26_tp21 time 0 Time [hours] tp21_au 0 Signal (au) SN38 0.1µm lin lin
plot1 SN38 – pATM LinePlot MeanAndSD model1_data24_SN38_pATM time 0 Time [hours] pATM_au 0 Signal (au) SN38 0.01µm lin lin
plot1 SN38 – pATM LinePlot MeanAndSD model1_data25_pATM time 0 Time [hours] pATM_au 0 Signal (au) SN38 0.05µm lin lin
plot1 SN38 – pATM LinePlot MeanAndSD model1_data26_pATM time 0 Time [hours] pATM_au 0 Signal (au) SN38 0.1µm lin lin
plot2 SN38 – pDNAPK LinePlot MeanAndSD model1_data24_SN38_pDNAPK time 0 Time [hours] pDNAPK_au 0 Signal (au) SN38 0.01µm lin lin
plot2 SN38 – pDNAPK LinePlot MeanAndSD model1_data25_pDNAPK time 0 Time [hours] pDNAPK_au 0 Signal (au) SN38 0.05µm lin lin
plot2 SN38 – pDNAPK LinePlot MeanAndSD model1_data26_pDNAPK time 0 Time [hours] pDNAPK_au 0 Signal (au) SN38 0.1µm lin lin
plot3 SN38 – pChk1_au LinePlot MeanAndSD model1_data24_SN38_pChk1 time 0 Time [hours] pChk1_au 0 Signal (au) SN38 0.01µm lin lin
plot3 SN38 – pChk1_au LinePlot MeanAndSD model1_data25_pChk1 time 0 Time [hours] pChk1_au 0 Signal (au) SN38 0.05µm lin lin
plot3 SN38 – pChk1_au LinePlot MeanAndSD model1_data26_pChk1 time 0 Time [hours] pChk1_au 0 Signal (au) SN38 0.1µm lin lin
plot4 SN38 – pChk2_au LinePlot MeanAndSD model1_data24_SN38_pChk2 time 0 Time [hours] pChk2_au 0 Signal (au) SN38 0.01µm lin lin
plot4 SN38 – pChk2_au LinePlot MeanAndSD model1_data25_pChk2 time 0 Time [hours] pChk2_au 0 Signal (au) SN38 0.05µm lin lin
plot4 SN38 – pChk2_au LinePlot MeanAndSD model1_data26_pChk2 time 0 Time [hours] pChk2_au 0 Signal (au) SN38 0.1µm lin lin
plot5 SN38 – tp53_au LinePlot MeanAndSD model1_data24_SN38_tp53 time 0 Time [hours] tp53_au 0 Signal (au) SN38 0.01µm lin lin
plot5 SN38 – tp53_au LinePlot MeanAndSD model1_data25_tp53 time 0 Time [hours] tp53_au 0 Signal (au) SN38 0.05µm lin lin
plot5 SN38 – tp53_au LinePlot MeanAndSD model1_data26_tp53 time 0 Time [hours] tp53_au 0 Signal (au) SN38 0.1µm lin lin
plot6 SN38 – pp53_au LinePlot MeanAndSD model1_data24_SN38_pp53 time 0 Time [hours] pp53_au 0 Signal (au) SN38 0.01µm lin lin
plot6 SN38 – pp53_au LinePlot MeanAndSD model1_data25_pp53 time 0 Time [hours] pp53_au 0 Signal (au) SN38 0.05µm lin lin
plot6 SN38 – pp53_au LinePlot MeanAndSD model1_data26_pp53 time 0 Time [hours] pp53_au 0 Signal (au) SN38 0.1µm lin lin
plot7 SN38 – tp21_au LinePlot MeanAndSD model1_data24_SN38_tp21 time 0 Time [hours] tp21_au 0 Signal (au) SN38 0.01µm lin lin
plot7 SN38 – tp21_au LinePlot MeanAndSD model1_data25_tp21 time 0 Time [hours] tp21_au 0 Signal (au) SN38 0.05µm lin lin
plot7 SN38 – tp21_au LinePlot MeanAndSD model1_data26_tp21 time 0 Time [hours] tp21_au 0 Signal (au) SN38 0.1µm lin lin
plot8 Dox – pATM_au LinePlot MeanAndSD model1_data20_patm_au time 0 Time [hours] pATM_au 0 Signal (au) Dox 0.01µm lin lin
plot8 Dox – pATM_au LinePlot MeanAndSD model1_data21_patm_au time 0 Time [hours] pATM_au 0 Signal (au) Dox 0.05µm lin lin
plot8 Dox – pATM_au LinePlot MeanAndSD model1_data22_patm_au time 0 Time [hours] pATM_au 0 Signal (au) Dox 0.1µm lin lin
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Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
conditionId conditionName S_on Cer Sphinga Sphingo S1P
wild_type wild-type 1 0.988 0.000732 0.000395 1.551
mutant Hai1a deletion mutant 0 0.822 0.000795 0.000364 2.07
conditionId conditionName S_on Cer Sphinga Sphingo S1P
wild_type wild-type 1 0.988 0.000732 0.000395 1.551
mutant Hai1a deletion mutant 0 0.822 0.000795 0.000364 2.07
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
observableId observableName observableFormula noiseFormula noiseDistribution
Sphinga_obs Sphinganine concentration [area ratio/Protein] - indication of Cer de novo production Sphinga noiseParameter1_Sphinga_obs*Sphinga normal
Cer_obs Ceramide concentration [area ratio/Protein] Cer noiseParameter1_Cer_obs*Cer normal
Sphingo_obs Sphingosine concentration [area ratio/Protein] Sphingo noiseParameter1_Sphingo_obs*Sphingo normal
S1P_obs Sphingosine-1-phosphate indirect measurement S1P noiseParameter1_S1P_obs*S1P normal
observableId observableName observableFormula noiseFormula noiseDistribution
Sphinga_obs Sphinganine concentration [area ratio/Protein] - indication of Cer de novo production Sphinga noiseParameter1_Sphinga_obs*Sphinga normal
Cer_obs Ceramide concentration [area ratio/Protein] Cer noiseParameter1_Cer_obs*Cer normal
Sphingo_obs Sphingosine concentration [area ratio/Protein] Sphingo noiseParameter1_Sphingo_obs*Sphingo normal
S1P_obs Sphingosine-1-phosphate indirect measurement S1P noiseParameter1_S1P_obs*S1P normal
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