Merge branch 'master' of github.com:lrcfmd/ElMD

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