update conformer.py (#203)

deepmodeling · Jan 4, 2024 · 6066381 · 6066381
1 parent b3227e4
commit 6066381
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/unimol_tools/unimol_tools/data/conformer.py b/unimol_tools/unimol_tools/data/conformer.py
@@ -74,7 +74,7 @@ def single_process(self, smiles):
         """
         if self.method == 'rdkit_random':
             atoms, coordinates = inner_smi2coords(smiles, seed=self.seed, mode=self.mode, remove_hs=self.remove_hs)
-            return coords2unimol(atoms, coordinates, self.dictionary, self.max_atoms)
+            return coords2unimol(atoms, coordinates, self.dictionary, self.max_atoms, remove_hs=self.remove_hs)
         else:
             raise ValueError('Unknown conformer generation method: {}'.format(self.method))