remove deprecated rdkit args

JacksonBurns · Aug 13, 2024 · 28e8d9c · 28e8d9c
1 parent 8021325
commit 28e8d9c
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Showing 2 changed files with 6 additions and 12 deletions.
diff --git a/README.md b/README.md
@@ -261,10 +261,8 @@ train_test_split_molecules(
     fingerprint="daylight_fingerprint",
     fprints_hopts={
         "fpSize": 200,
-        "bitsPerHash": 4,
-        "useHs": 1,
-        "tgtDensity": 0.4,
-        "minSize": 64,
+        "numBitsPerFeature": 4,
+        "useHs": True,
     },
     sampler="random",
     random_state=42,

diff --git a/test/functional/test_molecules.py b/test/functional/test_molecules.py
@@ -127,10 +127,8 @@ def test_fprint_hopts(self):
             fingerprint="topological_fingerprint",
             fprints_hopts={
                 "fpSize": 200,
-                "bitsPerHash": 4,
-                "useHs": 1,
-                "tgtDensity": 0.4,
-                "minSize": 64,
+                "numBitsPerFeature": 4,
+                "useHs": True,
             },
         )
 
@@ -162,10 +160,8 @@ def test_maximum_call(self):
             fingerprint="topological_fingerprint",
             fprints_hopts={
                 "fpSize": 200,
-                "bitsPerHash": 4,
-                "useHs": 1,
-                "tgtDensity": 0.4,
-                "minSize": 64,
+                "numBitsPerFeature": 2,
+                "useHs": True,
             },
             sampler="random",
             random_state=42,