diff --git a/README.md b/README.md index 3f81d89a..c3b4cc42 100644 --- a/README.md +++ b/README.md @@ -28,34 +28,42 @@ pip install acom_music_box # Tests -The tests directory contains 4 different tests that can be ran with [PyTest](https://docs.pytest.org/en/8.2.x/). PyTest can be installed by running: - -``` -pip install pytest -``` - -After PyTest is intalled, the tests can be ran through the following commands from the root directory: +After installing music box for local development `pip install -e .` ``` cd tests pytest ``` -# Documentation - -MusicBox documentation can be built using [Sphinx](https://www.sphinx-doc.org/en/master/). Sphinx can be installed by running: +# Command line tool +MusicBox provides a command line tool that can run configurations as well as some pre-configured examples. Basic plotting can be done if gnuplot is installed. ``` -pip install sphinx +music_box -h +usage: music_box [-h] [-c CONFIG] [-e {CB5,Chapman,FlowTube,Analytical}] [-o OUTPUT] [-v] [--color-output] [--plot PLOT] + +MusicBox simulation runner. + +optional arguments: + -h, --help show this help message and exit + -c CONFIG, --config CONFIG + Path to the configuration file. If --example is provided, this argument is ignored. + -e {CB5,Chapman,FlowTube,Analytical}, --example {CB5,Chapman,FlowTube,Analytical} + Name of the example to use. Overrides --config. + Available examples: + CB5: Carbon bond 5 + Chapman: The Chapman cycle with conditions over Boulder, Colorado + FlowTube: A fictitious flow tube experiment + Analytical: An example of an analytical solution to a simple chemical system + -o OUTPUT, --output OUTPUT + Path to save the output file, including the file name. If not provided, result will be printed to the console. + -v, --verbose Increase logging verbosity. Use -v for info, -vv for debug. + --color-output Enable color output for logs. + --plot PLOT Plot a comma-separated list of species if gnuplot is available (e.g., CONC.A,CONC.B). ``` -After installing Sphinx, the documentation can be generated by running the following commands in the root directory: +To run one of the examples and plot something you would run ``` -cd doc/sphinx_files -make html +music_box -e Chapman -o output.csv -vv --color-output --plot CONC.O1D ``` - -Then, open `music-box/doc/sphinx_files/build/html/index.html` in a browser. - -The documentation includes more detailed instructions for configuring the model, along with developer resources. diff --git a/src/acom_music_box/__init__.py b/src/acom_music_box/__init__.py index 8a7a0bff..aa2922b3 100644 --- a/src/acom_music_box/__init__.py +++ b/src/acom_music_box/__init__.py @@ -4,7 +4,7 @@ This package contains modules for handling various aspects of a music box, including species, products, reactants, reactions, and more. """ -__version__ = "2.2.3" +__version__ = "2.3.0" from .utils import convert_time, convert_pressure, convert_temperature, convert_concentration from .species import Species