Fixed to work with latest version of ElM2D

lrcfmd · Oct 8, 2021 · 29ec24e · 29ec24e
1 parent 080cb5f
commit 29ec24e
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Showing 2 changed files with 5 additions and 5 deletions.
diff --git a/ElM2D/ElM2D.py b/ElM2D/ElM2D.py
@@ -381,7 +381,7 @@ def _process_list(self, formula_list, n_proc):
         pool_list = []
 
 
-        n_elements = len(ElMD().periodic_tab[self.metric])
+        n_elements = len(ElMD().periodic_tab)
         self.input_mat = np.ndarray(shape=(len(formula_list), n_elements), dtype=np.float64)
 
         if self.verbose: 
@@ -437,7 +437,7 @@ def _pool_ElMD(self, input_tuple):
             distances[i] = EMD(self.input_mat[input_1], 
                                self.input_mat[input_2],
                                elmd_obj.lookup,
-                               elmd_obj.periodic_tab[self.metric])
+                               elmd_obj.periodic_tab)
 
         return distances
 
@@ -528,7 +528,7 @@ def _process_intersection(self, X, y, n_proc):
         '''
         pool_list = []
 
-        n_elements = len(ElMD().periodic_tab[self.metric])
+        n_elements = len(ElMD().periodic_tab)
         X_mat = np.ndarray(shape=(len(X), n_elements), dtype=np.float64)
         y_mat = np.ndarray(shape=(len(y), n_elements), dtype=np.float64)
 

diff --git a/setup.py b/setup.py
@@ -2,13 +2,13 @@
 setup(
   name = 'ElM2D',        
   packages = ['ElM2D'],  
-  version = '0.3.18',      
+  version = '0.4.0',      
   license='GPL3',       
   description = 'A high performance mapping class to embed large datasets of ionic compositions with respect to the ElMD metric.',  
   author = 'Cameron Hagreaves',              
   author_email = 'cameron.h@rgreaves.me.uk', 
   url = 'https://github.com/lrcfmd/ElM2D/',   
-  download_url = 'https://github.com/lrcfmd/ElM2D/archive/0.3.18.tar.gz',    
+  download_url = 'https://github.com/lrcfmd/ElM2D/archive/0.4.0.tar.gz',    
   keywords = ['ChemInformatics', 'Materials Science', 'Machine Learning', 'Materials Representation'],   
   install_requires=[            
           'cython',