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fix: Ensure tense uniformity in log messages (#267)
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Updated log messages to consistently use the past tense, ensuring grammatical correctness and improving readability. This change affects the messages related to conformer generation outcomes.
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zt10001 authored Sep 9, 2024
1 parent 5102387 commit ce9f255
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions unimol_tools/unimol_tools/data/conformer.py
Original file line number Diff line number Diff line change
Expand Up @@ -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('Succeed to generate conformers for {:.2f}% of molecules.'.format((1-failed_cnt)*100))
logger.info('Succeeded in generating 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('Succeed to generate 3d conformers for {:.2f}% of molecules.'.format((1-failed_3d_cnt)*100))
logger.info('Succeeded in generating 3d conformers for {:.2f}% of molecules.'.format((1-failed_3d_cnt)*100))
return inputs


Expand Down Expand Up @@ -213,4 +213,4 @@ def coords2unimol(atoms, coordinates, dictionary, max_atoms=256, remove_hs=True,
'src_distance': src_distance.astype(np.float32),
'src_coord': src_coord.astype(np.float32),
'src_edge_type': src_edge_type.astype(int),
}
}

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