Element Recognition

What is this.

A package that organizes compositions written as strings into pandas.DataFrames, or conversely, generates compositions from mixing ratios by using only numpy and pandas.

It works well with ternary_diagram (This makes it easy to generate beautiful ternary diagram.). Please check it out.

How to install

pip install element-recognition

How to use

If you want to know in details, see example.

Import modules

from element_recognition import get_ratio, make_compositions

get_ratio

This is a function that returns a pandas.DataFrame of mixing ratios given a compound and a raw material.

get_ratio(products = ['Li2La2TiO6'], materials = ['Li2O', 'La2O3', 'TiO2'])

               Li2O  La2O3  TiO2
    Li2La2TiO6   1.0   1.0   1.0

make_compositions

This function returns the composition formula and the amount of all elements contained as a pandas.DataFrame by giving the raw materials and the mixing ratio.

make_compositions(materials = ['Li2O', 'La2O3', 'TiO2'], ratio = [[1, 2, 3]])

                H   He   Li   Be    B    C    N     O    F   Ne   Na   Mg   Al   Si    P  ...   Rf   Db   Sg   Bh   Hs   Mt   Ds   Rg   Cn   Nh   Fl   Mc   Lv   Ts   Og
    Li2Ti3La4O13  0.0  0.0  2.0  0.0  0.0  0.0  0.0  13.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0  ...  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0  0.0

LICENSE

see LICENSE.