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Barplots and Replicates with Simulation data #214

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merged 15 commits into from
Jan 23, 2020
Merged

Barplots and Replicates with Simulation data #214

merged 15 commits into from
Jan 23, 2020

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MerktSimon
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Fixes bug #196 and resolves enhancement #210 (although here color coding is still open for discussion)

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codecov-io commented Jan 15, 2020

Codecov Report

Merging #214 into develop will increase coverage by 0.2%.
The diff coverage is 100%.

Impacted file tree graph

@@            Coverage Diff             @@
##           develop     #214     +/-   ##
==========================================
+ Coverage    77.25%   77.46%   +0.2%     
==========================================
  Files           20       20             
  Lines         1442     1442             
  Branches       317      317             
==========================================
+ Hits          1114     1117      +3     
+ Misses         258      256      -2     
+ Partials        70       69      -1
Impacted Files Coverage Δ
petab/visualize/plotting_config.py 58.13% <ø> (ø) ⬆️
petab/lint.py 75.66% <ø> (+0.88%) ⬆️
petab/visualize/plot_data_and_simulation.py 70.9% <ø> (ø) ⬆️
petab/parameter_mapping.py 73.12% <100%> (ø) ⬆️
petab/format_version.py 100% <0%> (+100%) ⬆️

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@MerktSimon
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since I commited with wrong automatic issue closure keyword, again: This pull request also closes #213 in both ways

@@ -72,42 +72,42 @@ def plot_lowlevel(vis_spec: pd.DataFrame,
# add xOffset
conditions = conditions + vis_spec.xOffset[i_visu_spec]

# TODO sort mean and sd/sem by x values (as for simulatedData below)
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@dweindl dweindl merged commit d63bcc4 into develop Jan 23, 2020
@dweindl dweindl deleted the fixes_sm branch January 23, 2020 20:26
LeonardSchmiester added a commit that referenced this pull request Feb 11, 2020
* Add pylint config

* Fixes ys (#237)

* fix merge error

* add petablint yaml test

* add parameters test

* Parameter mapping should include all model parameters (#235)

Closes #103

* Parameter mapping should include all model parameters
* Known values should be filled in
* Extend and update tests
* Refactor parameter mapping
* properly handle estimated and non-estimated parameters
* Fix wrong parameter scale returned from mapping
* ...

* Allow initial concentrations / sizes in condition table (#238)

* Allow species and compartments in condition table

* Updated doc allowing for states etc in condition file

* Update pylint: allow lower-case constants

* Export __format_version__

* Fix returning floats as strings in case there are parameter names in the condition table

Co-authored-by: LeonardSchmiester <leonard.schmiester@helmholtz-muenchen.de>

* Barplots and Replicates with Simulation data (#214)

Fixes #196, fixes #210, fixes #213

* Cleanup visualization (#240)

* Add constants for visualization field IDs
* .. and some others
* start using them
* formatting, ...

* Observables table instead of SBML assignment rules (#244)

Closes #201, closes #241 

* Update data format doc for observable table

* Add field name constants for observable table

* Add observables table to petab.Problem

* Update YAML schema and CompositeProblem

* Add functions for writing PEtab dataframes to files

* Deprecate SBML-observable functions

* Implement validation for observable table

* Add function for converting SBML-observable models to observable table

* Use costants for PEtab table fields

* Update PEtab files illustration

* Fix most pylint issues (Closes #234)

* Update vis to observalble table (Closes #246)

  No need to check for equal NOISE_DISTRIBUTION and OBSERVABLE_TRANSFORMATION anymore, so they are no longer included in the measurement table, and cannot differ for the same observableId

* Fix and update flatten_timepoint_specific_output_overrides

  Closes #247

  Was creating wrong observables before

* Address review comments

  Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com>

* Release 0.1.0; file format version 1

* Fix parameter mapping: include output parameters not present in SBML model

* Add convenience functions to petab.Problem

* get_optimization_parameter_scales
* get_optimization_to_simulation_scale_mapping
* add tests

* Fix petab/petab_schema.yaml missing in pypi package

* Update pylint ignorelist

* Update README

* Remove obsolete functions

... related to hierarchical optimization, which should be kept outside PEtab

* Let get_placeholders return an (ordered) list of placeholders

because it is much more useful

* Add check for valid identifiers (Closes #179) (#253)

Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com>

* Deprecate petab.problem.from_folder (Closes #245)

... as well as get_default_*_file_name

* Release 0.1.1

* Barplot uniform coloring & yScale=log fix #196 (#255)


* resolves #197

* small fix

* change all barplot colors to blue

* allow to extract only estimate parameters (#256)

* allow to extract only estimate parameters

* add docstrings

* Visu callobs par (#262)

* fix #261

* corrected flake8 error - line too long

* deleted white space

* add F403 to falke8 tests

* Fix handling of numeric observable/noiseFormula in observable table (Fixes #264)

* Add properties for fixed/free and scaled values (#268)

* allow to extract only estimate parameters

* add docstrings

* return scaled versions of arrays

* Update petab/problem.py

Co-Authored-By: Daniel Weindl <dweindl@users.noreply.github.com>

Co-authored-by: Daniel Weindl <dweindl@users.noreply.github.com>

* Observables function (#269)

* allow to extract only estimate parameters

* add docstrings

* return scaled versions of arrays

* Update petab/problem.py

Co-Authored-By: Daniel Weindl <dweindl@users.noreply.github.com>

* add get_observables function

* add observables test; use observables file in petab test

* fix typo

* move get_observables to ..._ids

* remove unused arg

* add docstring

* fix lint

* fix pylint

* fix flake8

Co-authored-by: Daniel Weindl <dweindl@users.noreply.github.com>

* Fix documentation hierarchy

* Add functions to get all of fixed|free, scaled parameter values (#273)

* allow to extract only estimate parameters

* add docstrings

* return scaled versions of arrays

* Update petab/problem.py

Co-Authored-By: Daniel Weindl <dweindl@users.noreply.github.com>

* add get_observables function

* add observables test; use observables file in petab test

* fix typo

* move get_observables to ..._ids

* remove unused arg

* add docstring

* fix lint

* fix pylint

* fix flake8

* fix typo

* streamline fixed|free|all, and scaled values

* fix default args

* fix codacy

* address reviewer comment: return empty list

* add docstring#

* add more docstrings

* fix var type error

* address reviewer comments

Co-authored-by: Daniel Weindl <dweindl@users.noreply.github.com>

* Default column to look for simulation results should be 'simulation'

* PEtab COMBINE archives (#271)

* Add create_combine_archive for generation of COMBINE archives

* Add support for reading PEtab COMBINE archives

* Add tests for COMBINE archive r/w

* Fix sbml_observables_to_table - got broken in eb5453

* Increase test coverage (#278)

* allow to extract only estimate parameters

* add docstrings

* return scaled versions of arrays

* Update petab/problem.py

Co-Authored-By: Daniel Weindl <dweindl@users.noreply.github.com>

* add get_observables function

* add observables test; use observables file in petab test

* fix typo

* move get_observables to ..._ids

* remove unused arg

* add docstring

* fix lint

* fix pylint

* fix flake8

* fix typo

* streamline fixed|free|all, and scaled values

* fix default args

* fix codacy

* address reviewer comment: return empty list

* add docstring#

* add more docstrings

* fix var type error

* address reviewer comments

* add parameter properties test

* add tests for get/write_parameter_df

* add measurements tests

* add conditions tests

* fix conditions create function

* add parameter tests

* add observables tests

* fixup

* add docstrings

* address reviewer comments

* random edit to see if codacy is happy

* random stuff to annoy codecov

Co-authored-by: Daniel Weindl <dweindl@users.noreply.github.com>

Co-authored-by: Daniel Weindl <dweindl@users.noreply.github.com>
Co-authored-by: Yannik Schälte <31767307+yannikschaelte@users.noreply.github.com>
Co-authored-by: LeonardSchmiester <leonard.schmiester@helmholtz-muenchen.de>
Co-authored-by: Simon Merkt <49190262+MerktSimon@users.noreply.github.com>
Co-authored-by: Polina Lakrisenko <p.lakrisenko@gmail.com>
Co-authored-by: LaraFuhrmann <55209716+LaraFuhrmann@users.noreply.github.com>
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4 participants