Update __init__.py

This fixes the NoneType issues with Species.shannon_radius and Species.ionic_radius
WMD-group · Oct 29, 2019 · 60e11b2 · 60e11b2
1 parent 9df0f02
commit 60e11b2
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/smact/__init__.py b/smact/__init__.py
@@ -193,15 +193,15 @@ def __init__(self,symbol,oxidation,coordination=4):
 
         if shannon_data:
             for dataset in shannon_data:
-                if dataset['charge'] == oxidation and dataset['coordination'] == coordination:
+                if dataset['charge'] == oxidation and str(coordination) == dataset['coordination'].split('_')[0]:
                     self.shannon_radius = dataset['crystal_radius'];
 
         # Get ionic radius
         self.ionic_radius = None;
 
         if shannon_data:
             for dataset in shannon_data:
-                if dataset['charge'] == oxidation and dataset['coordination'] == coordination:
+                if dataset['charge'] == oxidation and str(coordination) == dataset['coordination'].split('_')[0]:
                     self.ionic_radius = dataset['ionic_radius'];
 
         # Get SSE_2015 (revised) for the oxidation state.