Révision 8d08beb4

b/modules/formats.py
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            from xyz2mol import read_xyz_file, xyz2mol
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            atoms, charge, xyz_coordinates = read_xyz_file(coord_file)
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            rd_mol_obj = xyz2mol(atoms, xyz_coordinates, charge=charge)
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            logger.info(conv_info)
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            logger.debug(conv_info)
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            return rd_mol_obj
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        elif filetype(coord_file) == 'mol':
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            from rdkit.Chem import MolFromMolFile
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            logger.info(conv_info)
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            logger.debug(conv_info)
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            return MolFromMolFile(coord_file, removeHs=False)
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    if requirement == 'ase':


  		





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        import ase.io


  		





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        logger.info(conv_info)


  		





  
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        logger.debug(conv_info)


  		





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        return ase.io.read(coord_file)


  		












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