Merge pull request #9 from SurgeArrester/master

Minor string parsing fix

ElMD/ElMD.py

@@ -96,8 +96,8 @@ def EMD(comp1, comp2, lookup, table):
     else:
         sink_demands = comp2
 
-    source_labels = np.array([table[lookup[i]] for i in np.where(source_demands > 0)[0]])
-    sink_labels = np.array([table[lookup[i]] for i in np.where(sink_demands > 0)[0]])
+    source_labels = np.array([table[lookup[i]] for i in np.where(source_demands > 0)[0]], dtype=int)
+    sink_labels = np.array([table[lookup[i]] for i in np.where(sink_demands > 0)[0]], dtype=int)
 
     source_demands = source_demands[np.where(source_demands > 0)[0]]
     sink_demands = sink_demands[np.where(sink_demands > 0)[0]]

setup.py

@@ -3,13 +3,13 @@
 setup(
   name = 'ElMD',        
   packages = ['ElMD'],  
-  version = '0.4.2',
+  version = '0.4.3',
   license='GPL3',       
   description = 'An implementation of the Element movers distance for chemical similarity of ionic compositions',  
   author = 'Cameron Hagreaves',            
   author_email = '[email protected]', 
   url = 'https://github.com/lrcfmd/ElMD/',   
-  download_url = 'https://github.com/lrcfmd/ElMD/archive/v0.4.2 .tar.gz',    
+  download_url = 'https://github.com/lrcfmd/ElMD/archive/v0.4.3 .tar.gz',    
   keywords = ['ChemInformatics', 'Materials Science', 'Machine Learning', 'Materials Representation'],  
   package_data={"elementFeatures": ["ElementDict.json"]}, 
   include_package_data=True,