Merge pull request #205 from NCAR/K20shores-patch-1

Update README.md

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.

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