diff --git a/INSTALLATION.md b/INSTALLATION.md deleted file mode 100644 index f952814..0000000 --- a/INSTALLATION.md +++ /dev/null @@ -1,87 +0,0 @@ -# Installation - -The following instructions are for installation of the GUI for release version `2.1.4`. -Instructions for installation from source are given for the development version. - -## GUI - -To install the GUI, -it is recommended that you use [`pipx`](https://github.com/pypa/pipx). -This will create a new virtual environment -in which the `rimsschemedrawer` is executed. - -Follow the instructions at the given link to install `pipx`. -Then install the `rimsschemedrawer` by typing: - -```bash -pipx install rimsschemedrawer[gui] -``` - -You can now run the drawer by simply running the installed executable: - -```bash -rimsschemedrawer -``` - -## Development version (`v3`) - -This version is currently under development. -To install development versions and pre-releases from `pypi`, -please see the main [README](README.md). - -## From Source - -To install the `rimsschemedrawer` from source -and work with it, -we recommend that you have [`rye`](https://rye-up.com/) installed. - -Clone the repository and go into the folder: - -```bash -git clone https://github.com/RIMS-Code/RIMSSchemeDrawer.git -cd RIMSSchemeDrawer -``` - -If you have `rye` installed, -simply run: - -```bash -rye sync --all-features -``` - -Using `pip` -ideally inside a virtual environment -run: - -```bash -pip install .[gui] -``` - -If you do not want the GUI capability, -leave the `--all-features` (`rye`) -or the `[gui]` part (`pip`) out. - -If you have the GUI, -you can now run: - -```bash -rye run rimsschemedrawer -``` - -or - -```bash -rimsschemedrawer -``` - -## Contribute - -If you use `rye` and follow the instructions above -for installation from source, -you will have all required dependencies for development installed. - -The following additional commands can be useful: - -- `rye format`: Format the code with [`ruff`](https://docs.astral.sh/ruff/formatter/) -- `rye lint`: Lint the code with [`ruff`](https://docs.astral.sh/ruff/formatter/) -- `rye run test`: Test the code with [`pytest`](https://docs.pytest.org/) diff --git a/README.md b/README.md index 0e76b0e..ffc7289 100644 --- a/README.md +++ b/README.md @@ -1,79 +1,30 @@ # RIMSSchemeDrawer -A drawing program to create publishable RIMS schemes. +[![License: MIT](https://img.shields.io/badge/License-MIT-blue.svg)](https://opensource.org/licenses/MIT) +[![Rye](https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/mitsuhiko/rye/main/artwork/badge.json)](https://rye-up.com) +[![PyPI](https://img.shields.io/pypi/v/rimsschemedrawer)](https://pypi.org/project/rimsschemedrawer/) +[![Documentation Status](https://readthedocs.org/projects/rimsschemedrawer/badge/?version=latest)](https://rimsschemedrawer.readthedocs.io/en/latest/?badge=latest) +[![codecov](https://codecov.io/gh/RIMS-Code/RIMSSchemeDrawer/graph/badge.svg?token=TUUIKGLGGD)](https://codecov.io/gh/RIMS-Code/RIMSSchemeDrawer) +[![tests](https://github.com/RIMS-Code/RIMSSchemeDrawer/actions/workflows/package_testing.yml/badge.svg)](https://github.com/RIMS-Code/RIMSSchemeDrawer/actions/workflows/package_testing.yml) -Help with the installation / compilation can be found [here](INSTALLATION.md). +## Welcome! +As the name implies, +the `RIMSSchemeDrawer` is a tool to draw resonance ionization schemes. +The goal of this package is to create a publication-ready figure. -## How to use +The easiest way to use the software is via a graphical user interface (GUI). +However, the software can also be used as a library. -Generally, the GUI should be fairly self-explanatory. -Tool tips are furthermore implemented to help you navigate what you need to do. +For details on installation, usage, etc., +please see the [documentation](https://rimsschemedrawer.readthedocs.io/en/latest/). -Below is a screenshot of the main window in the software -that is configured to mostly reproduce -the Titanium resonance ionization scheme published by -[Trappitsch et al. (2018)](https://doi.org/10.1039/C8JA00269J). - -![Example Ti](examples/screenshot_titanium.png) - -### State / transition information - -Information on the transitions are entered on the left hand side of the software. -You can select if you would like to enter the information in nm (wavelength) -or in cm-1 (wavenumbers). -The term symbols can also be given, but are optional. -Furthermore, if you have low-lying states, -check the according box, -and you can now add the associated information. -If a transition is forbidden, -check the box and it will either be crossed out, -or not shown (depending on the configuration selected). - -### Plotting - -On the right hand side of the program are the settings. -Many parameters of the plot can be configured here. -It is worth playing with various parameters. -The `Plot` button will quickly allow you to see the figure in a new window. -It will also allow you to save the figure (see toolbar). -Available formats can be found -[here](https://matplotlib.org/stable/api/_as_gen/matplotlib.pyplot.savefig.html). - -In the background, RIMSSchemeDrawer uses matplotlib to draw the figures -and to display them nicely. -Feel free to tinker with the code and explore additional styles. - -### Loading and saving configurations - -If you want to load / save the configurations -you can use the according `Load Config` and `Save Config` buttons. -The data is saved as a `json` file. -You can open a saved file with any text editor and have a look, -but please note that bad things can happen -if you change the file right there, -unless of course you know what you're doing. -The file should be fairly self-explanatory. - -If you are interested: -The file with the configurations shown in the image above can be found [here](examples/example_titanium.json). - - -## Issues/enhancements - -If you find bugs in the software or would like to have an additional feature, -please raise an Issue [here](https://github.com/RIMS-Code/RIMSSchemeDrawer/issues). -Please also browse the issues to first see if the bug/feature request -you want to report is already listed. - -If you furthermore have ideas on how to implement/fix the bug already, -please feel free to discuss it through in the Issues tab -and create a pull request. -Contributions are always welcome! -Please follow [best practices](https://chris.beams.io/posts/git-commit/) in your commit messages. +## Issues/Enhancements +If you run into any problems with the software +or have ideas for enhancements, +please raise an issue [here on GitHub](https://github.com/RIMS-Code/RIMSSchemeDrawer/issues). ## License -RIMSSchemeDrawer is Copyright (C) 2020-2024 Reto Trappitsch -It is licensed under the MIT license. +This software is licensed under the [MIT license](https://github.com/RIMS-Code/RIMSSchemeDrawer/blob/main/LICENSE).