update gen comformer log from fail to succeed (#266)

deepmodeling · Sep 5, 2024 · 5102387 · 5102387
1 parent 08345e5
commit 5102387
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/unimol_tools/unimol_tools/data/conformer.py b/unimol_tools/unimol_tools/data/conformer.py
@@ -90,9 +90,9 @@ def transform(self, smiles_list):
         inputs = [item for item in tqdm(pool.imap(self.single_process, smiles_list))]
         pool.close()
         failed_cnt = np.mean([(item['src_coord']==0.0).all() for item in inputs])
-        logger.info('Failed to generate conformers for {:.2f}% of molecules.'.format(failed_cnt*100))
+        logger.info('Succeed to generate conformers for {:.2f}% of molecules.'.format((1-failed_cnt)*100))
         failed_3d_cnt = np.mean([(item['src_coord'][:,2]==0.0).all() for item in inputs])
-        logger.info('Failed to generate 3d conformers for {:.2f}% of molecules.'.format(failed_3d_cnt*100))
+        logger.info('Succeed to generate 3d conformers for {:.2f}% of molecules.'.format((1-failed_3d_cnt)*100))
         return inputs