diff --git a/README.md b/README.md index b028445..cc5f186 100644 --- a/README.md +++ b/README.md @@ -8,7 +8,7 @@ This repository provides the reference implementations as described in our paper If you wish to compute this metric between lots of compositions, the ElM2D high-performance library may be more useful and can be found at www.github.com/lrcfmd/ElM2D. -We reccomend installation via pip +We recommend installation via pip ``` pip install ElMD @@ -172,10 +172,16 @@ A feature vector of length 8076 can be generated by concatenating the weighted m > x = ElMD("NaCl").full_feature_vector() ``` -## Documentation +When using 1D unpooled elemental vectors, these may be mapped to the associated chemical formula using the `vec_to_formula` method: -Complete documentation may be found at www.elmd.io/api +```python +x = ElMD("CaTiO3") +y = ElMD("NaCl") +print(x.pretty_formula) +print(x.vec_to_formula(x.feature_vector)) # Same as above +print(y.vec_to_formula(x.feature_vector)) # Same as above +``` ## Citing