chainer_chemistry.dataset.preprocessors.type_check_num_atoms¶
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chainer_chemistry.dataset.preprocessors.
type_check_num_atoms
(mol, num_max_atoms=-1)[source]¶ Check number of atoms in mol does not exceed num_max_atoms
If number of atoms in mol exceeds the number num_max_atoms, it will raise MolFeatureExtractionError exception.
Parameters: - mol (Mol) –
- num_max_atoms (int) – If negative value is set, not check number of atoms.