hspcore 0.8

Hansen Solubility Parameters (HSP) core functions

Hansen Solubility Parameters (HSP) core functions.

Installation

Install hspcore easily with pip:

.. code-block:: python

pip install hspcore

Usage Example

import hspcore as hsp
#hsp grid is a list of solvents as [name,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],
    ...
]

product_hsp = get_hsp()
# {
# 'hsp': [16.94774954607497, 14.990227992029617, 11.009633578254737],
# 'radius': 12.446654676104526,
# 'error': 0.9979557635334755
# }

Links

• See on GitHub: https://github.com/Gnpd/hspcore

• See on PyPI: https://pypi.org/project/hspcore