Metadata-Version: 2.1
Name: agci
Version: 0.0.2
Summary: how to debut a PyPI for chemistry
Home-page: https://github.com/y-takefuji/agci
Author: yoshiyasu takefuji
Author-email: takefuji@keio.jp
License: UNKNOWN
Project-URL: Bug Tracker, https://github.com/y-takefuji/agci
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.8
Description-Content-Type: text/markdown

# agci
[![Open in Code Ocean](https://codeocean.com/codeocean-assets/badge/open-in-code-ocean.svg)](https://codeocean.com/capsule/9562303/tree)

takefuji (2022) agci for a reproducible PyPI application [Source Code]. https://doi.org/10.24433/CO.8712645.v1

Takefuji, Y. An Updated Tutorial on Reproducible PyPI Applications for Advancing Chemometrics and Boosting Learner Motivation. Chemometrics and Intelligent Laboratory Systems (2023).

This is a tutorial on how to debut a PyPI application and how to validate software reproducibility.
This agci is renamed and modified from "Symmetric GC integration.py" at https://github.com/1mikegrn/pyGC/blob/master/JCE-supplemental/Asymmetric%20GC%20integration.py
The modification is used to show how to debut a PyPI application and how to validate software reproducibility 
via Code Ocean.

# how to install agci

$ pip install agci

# how to run agci
The result picture will be saved in result.png.

$ agci "csv data filename"

$ agci Sample\ GC\ data\ 1\ pt\ acetone\ 1\ pt\ cyclohexane.csv

<img src='https://github.com/y-takefuji/agci/raw/main/result.png' width=640 hight=480>


