Metadata-Version: 2.1
Name: hspcore
Version: 1.0
Summary: Hansen Solubility Parameters (HSP) core functions
Home-page: https://github.com/Gnpd/hspcore
Download-URL: https://github.com/Gnpd/hspcore/archive/refs/tags/v_1.0.tar.gz
Author: Alejandro Gutierrez
Author-email: a.gutierrez@g-npd.com
License: MIT
Keywords: HSP,Solubility
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Developers
Classifier: Topic :: Software Development :: Build Tools
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3.11
Requires-Python: >=3.6
Description-Content-Type: text/x-rst
License-File: LICENSE.txt
Requires-Dist: scipy

hspcore
========

Hansen Solubility Parameters (HSP) core functions.

Installation
-------------

Install **hspcore** easily with pip:

.. code-block:: python

    pip install hspcore

Usage Example
--------------

.. code-block:: python

    from hspcore import get_hsp
    #hsp grid is a list of solvents as [[Solvent,D,P,H,Score],...]
    hsp_grid = [
        ['Acetonitrile', 15.3, 18.0, 6.1, 1],
        ['1-Bromonaphthalene', 20.6, 3.1, 4.1, 6],
        ['n-Butyl Acetate', 15.8, 3.7, 6.3, 3],
        ...
    ]
    
    hsp,radius,error = get_hsp(hsp_grid)
   
Links
-------

- See on GitHub: https://github.com/Gnpd/hspcore
- See on PyPI: https://pypi.org/project/hspcore
