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Refactor and Harden Configuration Management (#3461)
Co-authored-by: Paul Romano <paul.k.romano@gmail.com>
This commit is contained in:
Ahnaf Tahmid Chowdhury
GitHub
parent
c116288ea3
commit
25d64c9b26
2 changed files with 247 additions and 98 deletions
230
openmc/config.py
230
openmc/config.py
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@ -1,8 +1,23 @@
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"""Module for handling global configuration in OpenMC.
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This module exports a single object, `config`, that can be used to control
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various settings, primarily paths to data files. It acts like a dictionary but
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with special behaviors.
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Examples
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--------
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>>> import openmc
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>>> openmc.config['cross_sections'] = '/path/to/my/cross_sections.xml'
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>>> print(openmc.config)
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{'resolve_paths': True, 'cross_sections': PosixPath('/path/to/my/cross_sections.xml')}
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"""
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from collections.abc import MutableMapping
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from contextlib import contextmanager
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import os
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from pathlib import Path
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import warnings
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from typing import Any, Dict, Iterator
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from openmc.data import DataLibrary
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from openmc.data.decay import _DECAY_ENERGY, _DECAY_PHOTON_ENERGY
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@ -11,104 +26,195 @@ __all__ = ["config"]
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class _Config(MutableMapping):
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def __init__(self, data=()):
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self._mapping = {'resolve_paths': True}
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"""A configuration dictionary for OpenMC with special handling for path-like values.
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This class enforces valid configuration keys and synchronizes path-related
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settings with their corresponding environment variables.
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Attributes
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----------
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cross_sections : pathlib.Path
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Path to a cross_sections.xml file. Also sets/unsets the
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OPENMC_CROSS_SECTIONS environment variable.
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mg_cross_sections : pathlib.Path
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Path to a multi-group cross_sections.h5 file. Also sets/unsets
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the OPENMC_MG_CROSS_SECTIONS environment variable.
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chain_file : pathlib.Path
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Path to a depletion chain XML file. Also sets/unsets the
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OPENMC_CHAIN_FILE environment variable. Setting or deleting this
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clears internal decay data caches.
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resolve_paths : bool
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If True (default), all paths assigned are resolved to absolute
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paths. If False, paths are stored as they are provided.
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"""
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_PATH_KEYS: Dict[str, str] = {
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'cross_sections': 'OPENMC_CROSS_SECTIONS',
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'mg_cross_sections': 'OPENMC_MG_CROSS_SECTIONS',
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'chain_file': 'OPENMC_CHAIN_FILE'
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}
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def __init__(self, data: dict = ()):
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self._mapping: Dict[str, Any] = {'resolve_paths': True}
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self.update(data)
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def __getitem__(self, key):
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def __getitem__(self, key: str) -> Any:
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return self._mapping[key]
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def __delitem__(self, key):
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del self._mapping[key]
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if key == 'cross_sections':
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del os.environ['OPENMC_CROSS_SECTIONS']
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elif key == 'mg_cross_sections':
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del os.environ['OPENMC_MG_CROSS_SECTIONS']
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elif key == 'chain_file':
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del os.environ['OPENMC_CHAIN_FILE']
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# Reset photon source data since it relies on chain file
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_DECAY_PHOTON_ENERGY.clear()
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def __delitem__(self, key: str):
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"""Delete a configuration key.
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def __setitem__(self, key, value):
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if key == 'cross_sections':
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# Force environment variable to match
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self._set_path(key, value)
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os.environ['OPENMC_CROSS_SECTIONS'] = str(value)
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elif key == 'mg_cross_sections':
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self._set_path(key, value)
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os.environ['OPENMC_MG_CROSS_SECTIONS'] = str(value)
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elif key == 'chain_file':
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self._set_path(key, value)
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os.environ['OPENMC_CHAIN_FILE'] = str(value)
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# Reset photon source data since it relies on chain file
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This also deletes the corresponding environment variable if the key is a
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path-like key, and clears decay data caches if 'chain_file' is deleted.
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'resolve_paths' cannot be deleted.
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"""
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if key == 'resolve_paths':
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raise KeyError("'resolve_paths' cannot be deleted.")
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del self._mapping[key]
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if key in self._PATH_KEYS:
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env_var = self._PATH_KEYS[key]
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if env_var in os.environ:
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del os.environ[env_var]
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if key == 'chain_file':
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_DECAY_PHOTON_ENERGY.clear()
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_DECAY_ENERGY.clear()
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def __setitem__(self, key: str, value: Any):
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"""Set a configuration key and its corresponding value.
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For path-like keys, this method performs several actions:
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1. Resolves the path to an absolute path if `resolve_paths` is True.
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2. Stores the `pathlib.Path` object.
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3. Sets the corresponding environment variable (e.g., OPENMC_CROSS_SECTIONS).
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4. For 'chain_file', clears internal decay data caches.
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5. Issues a `UserWarning` if the final path does not exist.
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"""
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if key in self._PATH_KEYS:
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p = Path(value)
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# Use .get() for robustness, defaulting to True
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if self._mapping.get('resolve_paths', True):
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stored_path = p.resolve(strict=False)
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else:
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stored_path = p
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self._mapping[key] = stored_path
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os.environ[self._PATH_KEYS[key]] = str(stored_path)
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if key == 'chain_file':
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_DECAY_PHOTON_ENERGY.clear()
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_DECAY_ENERGY.clear()
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if not stored_path.exists():
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warnings.warn(f"Path '{stored_path}' does not exist.", UserWarning)
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elif key == 'resolve_paths':
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if not isinstance(value, bool):
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raise TypeError("'resolve_paths' must be a boolean.")
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self._mapping[key] = value
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else:
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raise KeyError(f'Unrecognized config key: {key}. Acceptable keys '
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'are "cross_sections", "mg_cross_sections", '
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'"chain_file", and "resolve_paths".')
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valid_keys = list(self._PATH_KEYS.keys()) + ['resolve_paths']
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raise KeyError(
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f"Unrecognized config key: {key}. Acceptable keys are: "
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f"{', '.join(repr(k) for k in valid_keys)}."
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)
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def __iter__(self):
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def __iter__(self) -> Iterator[str]:
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return iter(self._mapping)
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def __len__(self):
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def __len__(self) -> int:
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return len(self._mapping)
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def __repr__(self):
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def __repr__(self) -> str:
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return repr(self._mapping)
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def _set_path(self, key, value):
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self._mapping[key] = p = Path(value).resolve()
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if not p.exists():
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warnings.warn(f"'{value}' does not exist.")
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def clear(self):
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"""Clear all configuration keys except for 'resolve_paths'.
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This ensures that the path resolution behavior is not accidentally reset
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when clearing the configuration.
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"""
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# Create a copy of keys to iterate over for safe deletion
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keys_to_delete = [k for k in self._mapping if k != 'resolve_paths']
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for key in keys_to_delete:
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del self[key]
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@contextmanager
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def patch(self, key, value):
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"""Temporarily change a value in the configuration.
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def patch(self, key: str, value: Any):
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"""Context manager to temporarily change a configuration value.
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After the `with` block, the configuration is restored to its original
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state.
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Parameters
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----------
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key : str
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Key to change
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value : object
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New value
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The key of the configuration value to change.
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value
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The new temporary value.
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Examples
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--------
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>>> openmc.config['cross_sections'] = 'endf71.xml'
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>>> with openmc.config.patch('cross_sections', 'fendl32.xml'):
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... # Code in this block sees the new value
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... print(f"Inside with block: {openmc.config['cross_sections']}")
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>>> # Outside the block, the value is restored
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>>> print(f"Outside with block: {openmc.config['cross_sections']}")
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Inside with block: fendl32.xml
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Outside with block: endf71.xml
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"""
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previous_value = self.get(key)
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self[key] = value
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yield
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if previous_value is None:
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del self[key]
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else:
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self[key] = previous_value
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try:
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yield
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finally:
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if previous_value is None:
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del self[key]
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else:
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self[key] = previous_value
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def _default_config():
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"""Return default configuration"""
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def _default_config() -> _Config:
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"""Create a configuration initialized from environment variables.
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This function checks for OPENMC_CROSS_SECTIONS, OPENMC_MG_CROSS_SECTIONS,
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and OPENMC_CHAIN_FILE environment variables. It also has logic to find
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a chain file within a `cross_sections.xml` file if one is not
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explicitly set.
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Returns
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-------
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_Config
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A new configuration object.
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"""
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config = _Config()
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# Set cross sections using environment variable
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if "OPENMC_CROSS_SECTIONS" in os.environ:
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config['cross_sections'] = os.environ["OPENMC_CROSS_SECTIONS"]
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if "OPENMC_MG_CROSS_SECTIONS" in os.environ:
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config['mg_cross_sections'] = os.environ["OPENMC_MG_CROSS_SECTIONS"]
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# Set depletion chain
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chain_file = os.environ.get("OPENMC_CHAIN_FILE")
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if (chain_file is None and
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config.get('cross_sections') is not None and
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config['cross_sections'].exists()
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):
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# Check for depletion chain in cross_sections.xml
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data = DataLibrary.from_xml(config['cross_sections'])
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for lib in reversed(data.libraries):
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if lib['type'] == 'depletion_chain':
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chain_file = lib['path']
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break
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xs_path = config.get('cross_sections')
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if chain_file is None and xs_path is not None and xs_path.exists():
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try:
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data = DataLibrary.from_xml(xs_path)
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except Exception:
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# Let this pass silently if cross_sections.xml can't be parsed
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# or if a dependency like lxml is not available.
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pass
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else:
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for lib in reversed(data.libraries):
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if lib['type'] == 'depletion_chain':
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chain_file = xs_path.parent / lib['path']
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break
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if chain_file is not None:
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config['chain_file'] = chain_file
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return config
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# Global configuration dictionary for OpenMC settings.
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config = _default_config()
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@ -3,58 +3,101 @@ import os
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from pathlib import Path
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import openmc
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from openmc.config import _default_config
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from openmc.data import decay
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import pytest
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@pytest.fixture(autouse=True, scope='module')
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def reset_config():
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config = dict(openmc.config)
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@pytest.fixture(autouse=True, scope='function')
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def reset_config_and_env():
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"""A fixture to ensure each test has a clean config, env, and CWD."""
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original_env = dict(os.environ)
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original_cwd = os.getcwd()
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# Reset environment variables that affect config
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for key in ['OPENMC_CROSS_SECTIONS', 'OPENMC_MG_CROSS_SECTIONS', 'OPENMC_CHAIN_FILE']:
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if key in os.environ:
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del os.environ[key]
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# Re-initialize the global config object
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openmc.config = _default_config()
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try:
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yield
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finally:
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openmc.config.clear()
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openmc.config.update(config)
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# Restore environment and CWD
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os.environ.clear()
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os.environ.update(original_env)
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os.chdir(original_cwd)
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# Restore config one last time for safety between modules
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openmc.config = _default_config()
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def test_config_basics():
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assert isinstance(openmc.config, Mapping)
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for key, value in openmc.config.items():
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assert isinstance(key, str)
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if key == 'resolve_paths':
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assert isinstance(value, bool)
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else:
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assert isinstance(value, os.PathLike)
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# Set and delete
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openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
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with pytest.warns(UserWarning):
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openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
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del openmc.config['cross_sections']
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assert 'cross_sections' not in openmc.config
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assert 'OPENMC_CROSS_SECTIONS' not in os.environ
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# Can't use any key
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with pytest.raises(KeyError):
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openmc.config['🐖'] = '/like/to/eat/bacon'
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# ensure relative paths are expanded into absolute
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# paths
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chain_path = Path('./chain.xml')
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openmc.config['chain_file'] = chain_path
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assert openmc.config['chain_file'] == chain_path.resolve()
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with pytest.raises(KeyError, match="Unrecognized config key: nuke"):
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openmc.config['nuke'] = '/like/to/eat/bacon'
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with pytest.raises(TypeError):
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openmc.config['resolve_paths'] = 'not a bool'
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def test_config_patch():
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openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
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with openmc.config.patch('cross_sections', '/path/to/other.xml'):
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assert str(openmc.config['cross_sections']) == '/path/to/other.xml'
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assert str(openmc.config['cross_sections']) == '/path/to/cross_sections.xml'
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def test_config_path_resolution(tmp_path):
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"""Test path resolution logic."""
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os.chdir(tmp_path)
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relative_path = Path("some/file.xml")
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absolute_path = relative_path.resolve()
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# Test with resolve_paths = True (default)
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with pytest.warns(UserWarning):
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openmc.config['cross_sections'] = relative_path
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assert openmc.config['cross_sections'] == absolute_path
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assert openmc.config['cross_sections'].is_absolute()
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# Test with resolve_paths = False
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with openmc.config.patch('resolve_paths', False):
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with pytest.warns(UserWarning):
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openmc.config['chain_file'] = relative_path
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assert openmc.config['chain_file'] == relative_path
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assert not openmc.config['chain_file'].is_absolute()
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assert openmc.config['resolve_paths'] is True
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def test_config_set_envvar():
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openmc.config['cross_sections'] = '/path/to/cross_sections.xml'
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assert os.environ['OPENMC_CROSS_SECTIONS'] == '/path/to/cross_sections.xml'
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def test_config_patch(tmp_path):
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file_a = tmp_path / "a.xml"; file_a.touch()
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file_b = tmp_path / "b.xml"; file_b.touch()
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openmc.config['cross_sections'] = file_a
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with openmc.config.patch('cross_sections', file_b):
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assert openmc.config['cross_sections'] == file_b.resolve()
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assert openmc.config['cross_sections'] == file_a.resolve()
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openmc.config['mg_cross_sections'] = '/path/to/mg_cross_sections.h5'
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assert os.environ['OPENMC_MG_CROSS_SECTIONS'] == '/path/to/mg_cross_sections.h5'
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def test_config_set_envvar(tmp_path):
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"""Test that setting config also sets environment variables correctly."""
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os.chdir(tmp_path)
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relative_path = Path("relative.xml")
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with pytest.warns(UserWarning):
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openmc.config['cross_sections'] = relative_path
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expected_path = str(relative_path.resolve())
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assert os.environ['OPENMC_CROSS_SECTIONS'] == expected_path
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openmc.config['chain_file'] = '/path/to/chain_file.xml'
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assert os.environ['OPENMC_CHAIN_FILE'] == '/path/to/chain_file.xml'
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def test_config_warning_nonexistent_path(tmp_path):
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"""Test that a warning is issued for a path that does not exist."""
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bad_path = tmp_path / "a/path/that/does/not/exist.xml"
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with pytest.warns(UserWarning, match=f"Path '{bad_path}' does not exist."):
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openmc.config['chain_file'] = bad_path
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def test_config_chain_side_effect(tmp_path):
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"""Test that modifying chain_file clears decay data caches."""
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chain_file = tmp_path / "chain.xml"; chain_file.touch()
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decay._DECAY_ENERGY['U235'] = (1.0, 2.0)
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decay._DECAY_PHOTON_ENERGY['PU239'] = {}
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openmc.config['chain_file'] = chain_file
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assert not decay._DECAY_ENERGY and not decay._DECAY_PHOTON_ENERGY
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