SimpleSEDML 0.3.0__tar.gz → 0.3.2__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {simplesedml-0.3.0/src/SimpleSEDML.egg-info → simplesedml-0.3.2}/PKG-INFO +101 -8
- {simplesedml-0.3.0 → simplesedml-0.3.2}/README.md +86 -3
- {simplesedml-0.3.0 → simplesedml-0.3.2}/pyproject.toml +18 -8
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/__init__.py +1 -1
- {simplesedml-0.3.0 → simplesedml-0.3.2/src/SimpleSEDML.egg-info}/PKG-INFO +101 -8
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML.egg-info/requires.txt +13 -2
- {simplesedml-0.3.0 → simplesedml-0.3.2}/LICENSE +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/setup.cfg +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/constants.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/executor.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/model.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/model_information.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/multiple_model_parameter_scan.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/multiple_model_simple_sedml.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/multiple_model_time_course.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/omex_maker.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/plot.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/report.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/simple_sedml.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/simulation.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/single_model_parameter_scan.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/single_model_time_course.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/task.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/utils.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML/variable_collection.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML.egg-info/SOURCES.txt +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML.egg-info/dependency_links.txt +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/SimpleSEDML.egg-info/top_level.txt +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test__init__.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_executor.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_model.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_model_information.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_multiple_model_parameter_scan.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_multiple_model_time_course.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_omex_maker.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_plot.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_report.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_simple_sedml.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_simulation.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_single_model_parameter_scan.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_single_model_time_course.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_task.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_utils.py +0 -0
- {simplesedml-0.3.0 → simplesedml-0.3.2}/src/tests/test_variable_collection.py +0 -0
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Metadata-Version: 2.4
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Name: SimpleSEDML
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Version: 0.3.
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Summary:
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Version: 0.3.2
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Summary: Simplified API for creating SED-ML simulation experiment descriptions
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Author-email: Joseph Hellerstein <joseph.hellerstein@gmail.com>, Herbert S Sauro <hsauro@uw.edu>
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License: MIT License
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SOFTWARE.
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Project-URL: Homepage, https://github.com/sys-bio/SimpleSEDML
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License-File: LICENSE
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# SimpleSEDML
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# SimpleSEDML
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SimpleSEDML is a simple API for creating directives in the [Simulation Experiment Description Markup Language (SED-ML)](https://sed-ml.org/) community standard for describing simulation experiments.
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## Installation
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``SimpleSEDML`` has been tested on python 3.10, 3.11.
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pip install SimpleSEDML
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## Public API
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| `end` | float | `5.0` | Simulation end time |
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| `num_point` | int | `11` | Number of output time points |
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| `num_step` | int | `None` | Number of integration steps (alternative to `num_point`) |
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| `display_variables` | list[str] | all species | Variables to plot and include in the report |
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| `simulation_type` | str | `"uniform"` | Simulation algorithm
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| `display_variables` | list[str] | all floating species | Variables to plot and include in the report |
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| `simulation_type` | str | `"uniform"` | Simulation algorithm — `"uniform"` (CVODE), `"uniform_stochastic"` (Gillespie), `"steadystate"`, `"onestep"` |
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| `model_parameter_dct` | dict | `None` | Override model parameter values, e.g. `{"k1": 0.5}` |
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| `algorithm` | str | `None` | KISAO algorithm ID (overrides `simulation_type` algorithm selection) |
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| `title` | str | `""` | Plot title |
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| `is_plot` | bool | `True` | Whether to display a plot when `execute()` is called |
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| `project_dir` | str | `"project/"` | Directory where model SBML files are written |
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### Key arguments for `makeMultipleModelTimeCourse`
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| Argument | Type | Default | Description |
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| --- | --- | --- | --- |
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| `model_refs` | list[str] | `None` | List of model sources — Antimony/SBML strings, file paths, or URLs |
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| `start` | float | `0.0` | Simulation start time |
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| `end` | float | `5.0` | Simulation end time |
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| `num_point` | int | `11` | Number of output time points |
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| `num_step` | int | `None` | Number of integration steps (alternative to `num_point`) |
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| `display_variables` | list[str] | all floating species | Variables to compare across models |
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| `simulation_type` | str | `"uniform"` | Simulation algorithm — `"uniform"`, `"uniform_stochastic"`, `"steadystate"`, `"onestep"` |
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| `model_parameter_dct` | dict | `None` | Override parameter values applied to all models, e.g. `{"k1": 0.5}` |
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| `algorithm` | str | `None` | KISAO algorithm ID |
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| `is_plot` | bool | `True` | Whether to display plots when `execute()` is called |
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| `project_dir` | str | `"project/"` | Directory where model SBML files are written |
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### Key arguments for `makeSingleModelParameterScan`
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| Argument | Type | Default | Description |
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| --- | --- | --- | --- |
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| `model_ref` | str | *(required)* | Model source — Antimony/SBML string, file path, or URL |
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| `scan_parameter_dct` | dict | *(required)* | Parameters to scan; each key is a parameter name and the value is a list of values, e.g. `{"k1": [0.1, 0.5, 1.0]}` |
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| `ref_type` | str | auto-detected | Model reference type (see [Model reference types](#model-reference-types)) |
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| `simulation_type` | str | `"steadystate"` | Simulation type for each scan point — `"steadystate"` or `"onestep"` |
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| `time_interval` | float | `0.5` | Integration interval used when `simulation_type="onestep"` |
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| `display_variables` | list[str] | all floating species | Variables to plot on the y-axis |
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| `model_parameter_dct` | dict | `None` | Baseline parameter overrides applied before the scan |
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| `algorithm` | str | `None` | KISAO algorithm ID |
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| `title` | str | `None` | Plot title |
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| `is_plot` | bool | `True` | Whether to display a plot when `execute()` is called |
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| `project_dir` | str | `"project/"` | Directory where model SBML files are written |
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### Key arguments for `makeMultipleModelParameterScan`
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| Argument | Type | Default | Description |
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| --- | --- | --- | --- |
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| `scan_parameter_df` | pd.DataFrame | *(required)* | DataFrame of parameter values to scan; each column is a parameter name and each row is one scan point |
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| `model_refs` | list[str] | `None` | List of model sources — Antimony/SBML strings, file paths, or URLs |
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| `simulation_type` | str | `"onestep"` | Simulation type for each scan point — `"onestep"` or `"steadystate"` |
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| `time_interval` | float | `100` | Integration interval used when `simulation_type="onestep"` |
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| `display_variables` | list[str] | all floating species | Variables to compare across models |
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| `model_parameter_dct` | dict | `None` | Baseline parameter overrides applied before the scan |
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| `algorithm` | str | `None` | KISAO algorithm ID |
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| `title` | str | `None` | Plot title |
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| `is_plot` | bool | `True` | Whether to display plots when `execute()` is called |
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| `project_dir` | str | `"project/"` | Directory where model SBML files are written |
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### Key arguments for `makeExecutor`
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`makeExecutor` wraps an existing `SimpleSEDML` object and runs simulations directly via roadrunner, bypassing SED-ML/phraSED-ML generation.
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| Argument | Type | Default | Description |
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| --- | --- | --- | --- |
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| `simple` | SimpleSEDML | *(required)* | A constructed `SimpleSEDML` (or subclass) instance |
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Once created, the executor exposes three methods:
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| Method | Description |
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| --- | --- |
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| `executeTask(task_id=None, scan_parameter_dct=None)` | Run a single task; returns a `pd.DataFrame`. `scan_parameter_dct` overrides parameter values for this run. |
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| `executeRepeatedTask(repeated_task_id=None)` | Run a repeated task (parameter sweep); returns a `pd.DataFrame`. |
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| `executePlot2d(plot_id=None, ax=None, kind='line', is_plot=True)` | Execute the simulation(s) required for a 2D plot and render it; returns a `PlotResult(ax, plot_ids)`. |
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### Key arguments for `getModelInformation`
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| Argument | Type | Default | Description |
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| --- | --- | --- | --- |
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| `model_ref` | str | *(required)* | Model source — Antimony/SBML string, file path, or URL |
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| `ref_type` | str | auto-detected | Model reference type (see [Model reference types](#model-reference-types)) |
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Returns a `ModelInformation` object with attributes: `model_name`, `floating_species_dct`, `boundary_species_dct`, `parameter_dct`, `num_reaction`, `num_species`.
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### Model reference types
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## Versions
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* 0.3.2 4/12/2026
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* Fix bug related to import of pkg_resources is kisao by using setuptools 75.8.2
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* 0.3.1 4/12/2026
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* Update README
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* Fix package bugs
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* 0.3.0 4/10/2026
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* Fixed problem with OMEX files
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* Updated README.md
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# SimpleSEDML
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# SimpleSEDML
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SimpleSEDML is a simple API for creating directives in the [Simulation Experiment Description Markup Language (SED-ML)](https://sed-ml.org/) community standard for describing simulation experiments.
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## Installation
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pip install SimpleSEDML
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## Public API
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| `end` | float | `5.0` | Simulation end time |
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| `num_point` | int | `11` | Number of output time points |
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| `simulation_type` | str | `"uniform"` | Simulation algorithm
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| `display_variables` | list[str] | all floating species | Variables to plot and include in the report |
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| `simulation_type` | str | `"uniform"` | Simulation algorithm — `"uniform"` (CVODE), `"uniform_stochastic"` (Gillespie), `"steadystate"`, `"onestep"` |
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| `model_parameter_dct` | dict | `None` | Override model parameter values, e.g. `{"k1": 0.5}` |
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| `algorithm` | str | `None` | KISAO algorithm ID (overrides `simulation_type` algorithm selection) |
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| `title` | str | `""` | Plot title |
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| `is_plot` | bool | `True` | Whether to display a plot when `execute()` is called |
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| `project_dir` | str | `"project/"` | Directory where model SBML files are written |
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### Key arguments for `makeMultipleModelTimeCourse`
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| Argument | Type | Default | Description |
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| --- | --- | --- | --- |
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| `model_refs` | list[str] | `None` | List of model sources — Antimony/SBML strings, file paths, or URLs |
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| `start` | float | `0.0` | Simulation start time |
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| `end` | float | `5.0` | Simulation end time |
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| `num_point` | int | `11` | Number of output time points |
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| `num_step` | int | `None` | Number of integration steps (alternative to `num_point`) |
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| `display_variables` | list[str] | all floating species | Variables to compare across models |
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[project]
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name = "SimpleSEDML"
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description = "Simplified API for creating SED-ML simulation experiment descriptions"
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authors = [{ name = "Joseph Hellerstein", email = "joseph.hellerstein@gmail.com" }, {name = "Herbert S Sauro", email = "hsauro@uw.edu"}]
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[project.urls]
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Homepage = 'https://github.com/sys-bio/SimpleSEDML'
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from SimpleSEDML.simple_sedml import SimpleSEDML # type:ignore
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Metadata-Version: 2.4
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Name: SimpleSEDML
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Summary:
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Version: 0.3.2
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Summary: Simplified API for creating SED-ML simulation experiment descriptions
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Author-email: Joseph Hellerstein <joseph.hellerstein@gmail.com>, Herbert S Sauro <hsauro@uw.edu>
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License: MIT License
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SOFTWARE.
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Project-URL: Homepage, https://github.com/sys-bio/SimpleSEDML
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# SimpleSEDML
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# SimpleSEDML
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SimpleSEDML is a simple API for creating directives in the [Simulation Experiment Description Markup Language (SED-ML)](https://sed-ml.org/) community standard for describing simulation experiments.
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``SimpleSEDML`` has been tested on python 3.10, 3.11.
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| `end` | float | `5.0` | Simulation end time |
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| `num_point` | int | `11` | Number of output time points |
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| `num_step` | int | `None` | Number of integration steps (alternative to `num_point`) |
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| `display_variables` | list[str] | all species | Variables to plot and include in the report |
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| `simulation_type` | str | `"uniform"` | Simulation algorithm
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| `simulation_type` | str | `"uniform"` | Simulation algorithm — `"uniform"` (CVODE), `"uniform_stochastic"` (Gillespie), `"steadystate"`, `"onestep"` |
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| `model_parameter_dct` | dict | `None` | Override model parameter values, e.g. `{"k1": 0.5}` |
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| `algorithm` | str | `None` | KISAO algorithm ID (overrides `simulation_type` algorithm selection) |
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### Key arguments for `makeMultipleModelTimeCourse`
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| Argument | Type | Default | Description |
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| `model_refs` | list[str] | `None` | List of model sources — Antimony/SBML strings, file paths, or URLs |
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| `start` | float | `0.0` | Simulation start time |
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| `num_point` | int | `11` | Number of output time points |
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| `display_variables` | list[str] | all floating species | Variables to compare across models |
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| `simulation_type` | str | `"uniform"` | Simulation algorithm — `"uniform"`, `"uniform_stochastic"`, `"steadystate"`, `"onestep"` |
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| `model_parameter_dct` | dict | `None` | Override parameter values applied to all models, e.g. `{"k1": 0.5}` |
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### Key arguments for `makeSingleModelParameterScan`
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| Argument | Type | Default | Description |
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| `scan_parameter_dct` | dict | *(required)* | Parameters to scan; each key is a parameter name and the value is a list of values, e.g. `{"k1": [0.1, 0.5, 1.0]}` |
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| `ref_type` | str | auto-detected | Model reference type (see [Model reference types](#model-reference-types)) |
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| `simulation_type` | str | `"steadystate"` | Simulation type for each scan point — `"steadystate"` or `"onestep"` |
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| `time_interval` | float | `0.5` | Integration interval used when `simulation_type="onestep"` |
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| Argument | Type | Default | Description |
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| --- | --- | --- | --- |
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| `scan_parameter_df` | pd.DataFrame | *(required)* | DataFrame of parameter values to scan; each column is a parameter name and each row is one scan point |
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| `simulation_type` | str | `"onestep"` | Simulation type for each scan point — `"onestep"` or `"steadystate"` |
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### Key arguments for `makeExecutor`
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`makeExecutor` wraps an existing `SimpleSEDML` object and runs simulations directly via roadrunner, bypassing SED-ML/phraSED-ML generation.
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| Argument | Type | Default | Description |
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Once created, the executor exposes three methods:
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| `executeTask(task_id=None, scan_parameter_dct=None)` | Run a single task; returns a `pd.DataFrame`. `scan_parameter_dct` overrides parameter values for this run. |
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+
| `executeRepeatedTask(repeated_task_id=None)` | Run a repeated task (parameter sweep); returns a `pd.DataFrame`. |
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174
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+
| `executePlot2d(plot_id=None, ax=None, kind='line', is_plot=True)` | Execute the simulation(s) required for a 2D plot and render it; returns a `PlotResult(ax, plot_ids)`. |
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+
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176
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+
### Key arguments for `getModelInformation`
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+
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| Argument | Type | Default | Description |
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179
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+
| --- | --- | --- | --- |
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180
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+
| `model_ref` | str | *(required)* | Model source — Antimony/SBML string, file path, or URL |
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181
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+
| `ref_type` | str | auto-detected | Model reference type (see [Model reference types](#model-reference-types)) |
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182
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+
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183
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+
Returns a `ModelInformation` object with attributes: `model_name`, `floating_species_dct`, `boundary_species_dct`, `parameter_dct`, `num_reaction`, `num_species`.
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184
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### Model reference types
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100
186
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@@ -225,6 +311,13 @@ which generates the following plot:
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## Versions
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313
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314
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+
* 0.3.2 4/12/2026
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315
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* Fix bug related to import of pkg_resources is kisao by using setuptools 75.8.2
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316
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+
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317
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+
* 0.3.1 4/12/2026
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318
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* Update README
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319
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+
* Fix package bugs
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320
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+
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321
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* 0.3.0 4/10/2026
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229
322
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* Fixed problem with OMEX files
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230
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* Updated README.md
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@@ -1,5 +1,8 @@
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1
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+
brotli
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1
2
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biomodels_qc
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2
3
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biosimulators_utils
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4
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+
setuptools==75.8.2
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5
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+
gmpy2
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3
6
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numpy
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4
7
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build
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5
8
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coverage
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@@ -10,8 +13,16 @@ pandas
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10
13
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phrasedml
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pip
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python-libsbml
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-
requests
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tabulate
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+
sbmlxdf
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tellurium
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-
twine
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urllib3
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20
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+
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[dev]
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22
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build
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23
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coverage
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24
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jupyterlab
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25
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nose2
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pip
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toml
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twine
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