Merge pull request #1 from AnnaKelmanson/main

Fixed issue with encode_many
markusorsi · Oct 17, 2024 · dab1e4a · dab1e4a
2 parents ab60c9e + cdf9622
commit dab1e4a
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/mapchiral/mapchiral.py b/mapchiral/mapchiral.py
@@ -425,7 +425,7 @@ def encode_many(mols, max_radius:int=2, n_permutations:int=2048, mapping:bool=Fa
     if mapping:
         return get_fingerprints_with_mapping(mols, max_radius, n_permutations, n_cpus, seed)
     else:
-        return get_fingerprints(mols, max_radius, n_cpus, n_permutations)
+        return get_fingerprints(mols, max_radius, n_permutations, n_cpus)
 
 
 def jaccard_similarity(fingerprint_1:np.array=None, fingerprint_2:np.array=None):
@@ -454,4 +454,4 @@ def jaccard_similarity(fingerprint_1:np.array=None, fingerprint_2:np.array=None)
     similarity = jaccard_similarity(fingerprint_1, fingerprint_2)
     print(similarity)
     """
-    return np.count_nonzero(fingerprint_1 == fingerprint_2) / fingerprint_1.shape[0]
+    return np.count_nonzero(fingerprint_1 == fingerprint_2) / fingerprint_1.shape[0]