| """HADDOCK3 library.""" |
|
|
| import logging |
| import sys |
| from pathlib import Path |
| from importlib.metadata import version as package_version |
|
|
| log = logging.getLogger(__name__) |
| log.handlers.clear() |
| log.setLevel(logging.DEBUG) |
| handler = logging.StreamHandler(sys.stdout) |
| |
| |
| |
| handler.setLevel(logging.INFO) |
| handler.setFormatter( |
| logging.Formatter("[%(asctime)s %(module)s %(levelname)s] %(message)s") |
| ) |
| log.addHandler(handler) |
|
|
| haddock3_source_path = Path(__file__).resolve().parent |
| haddock3_repository_path = haddock3_source_path.parents[1] |
| core_path = Path(haddock3_source_path, "core") |
| toppar_path = Path(haddock3_source_path, "cns", "toppar") |
| modules_defaults_path = Path(haddock3_source_path, "modules", "defaults.yaml") |
|
|
| FCC_path = Path(haddock3_source_path.parent, "fcc") |
| RMSD_path = Path(haddock3_source_path.parent, "fast-rmsdmatrix") |
|
|
| config_expert_levels = ("easy", "expert", "guru") |
| |
| _hidden_level = "hidden" |
|
|
|
|
| class EmptyPath: |
| """Define the type EmptyPath.""" |
|
|
| def __str__(self) -> str: |
| return "" |
|
|
| def __repr__(self) -> str: |
| return "" |
|
|
| def __bool__(self) -> bool: |
| return False |
|
|
|
|
| |
| version = package_version("haddock3") |
|
|
| v_major, v_minor, v_patch = version.split(".")[:3] |
|
|
| contact_us = "https://github.com/haddocking/haddock3/issues" |
|
|
