| """Helper methods for reading input files.""" | |
| import re | |
| from itertools import filterfalse, tee | |
| from pathlib import Path | |
| def partition_template_pdb_from_file( | |
| custom_templates: list[str | Path], | |
| ) -> tuple[list[str], list[Path]]: | |
| """Partitions custom templates files from PDB codes and removes duplicates. | |
| Inspired from `partition` function in itertools cookbook: | |
| https://docs.python.org/dev/library/itertools.html#itertools-recipes | |
| Args: | |
| custom_templates (list[str | Path]): List of custom templates | |
| Returns: | |
| The list of PDB codes and the list of custom files. | |
| """ | |
| def pred(x): | |
| return re.match(r"^[a-zA-Z0-9]{4}$", str(x)) | |
| t1, t2 = tee(custom_templates) | |
| pdb_codes = filter(pred, t1) | |
| custom_files = filterfalse(pred, t2) | |
| return (pdb_codes, custom_files) | |