molcfg
Layered configuration for Python — predictable loading, merging, validation, and source tracking.
molcfg loads configuration from dicts, files, environment variables, and CLI
arguments into a single layered Config, remembering where every value came
from. It adds schema validation, string-tag construction, interpolation, and
thread-safe access on top.
Capabilities
| Module | Capability |
|---|---|
config |
Config container — attribute and dotted-path access, freeze, snapshot/rollback, change notification, JSON/TOML/YAML round-trip |
source |
Config sources — DictSource, JsonFileSource, TomlFileSource, YamlFileSource, EnvSource, CliSource behind a common Source interface |
merge |
OVERRIDE / APPEND / DEEP_MERGE strategies, ConfigLoader for layered loading, and ProfileLoader for profile-based config |
validation |
Type-and-constraint validation — Range, OneOf, Pattern, Length descriptors, Build, and the validate entry point |
registry |
Registry — maps string keys (e.g. "silu") to factories, resolving short and long forms into classes or instances |
concurrency |
ThreadSafeConfig wrapper, POSIX FileLock, and the ${path} / ${env:VAR} interpolate engine |
paths |
project_config_dir — resolves and creates the shared ~/.molcrafts/<name>/config/ directory |
errors |
Exception hierarchy — ConfigError, FrozenConfigError, CircularReferenceError, ValidationError |
Install
pip install molcrafts-molcfg
Requires Python 3.12+. The only runtime dependency is pyyaml.
Quick start
from molcfg import CliSource, ConfigLoader, DictSource, EnvSource
cfg = ConfigLoader([
DictSource({"db": {"host": "localhost", "port": 5432}}, name="defaults"),
EnvSource(prefix="APP", name="env"),
CliSource(["--db.port=6432"], name="cli"),
]).load()
assert cfg["db.port"] == 6432
assert cfg.meta("db.port") == {"source": "cli", "history": ("defaults", "cli")}
Documentation
Full documentation: docs.molcrafts.org/molcfg
(sources in docs/):
MolCrafts ecosystem
| Project | Role |
|---|---|
| molpy | Python toolkit — the shared molecular data model & workflow layer |
| molrs | Rust core — molecular data structures & compute kernels (native + WASM) |
| molpack | Packmol-grade molecular packing (Rust + Python) |
| molvis | WebGL molecular visualization & editing |
| molexp | Workflow & experiment-management platform |
| molnex | Molecular machine-learning framework |
| molq | Unified job queue — local / SLURM / PBS / LSF |
| molcfg | Layered configuration library — this repo |
| mollog | Structured logging, stdlib-compatible |
| molhub | Molecular dataset hub |
| molmcp | MCP server for the ecosystem |
| molrec | Atomistic record specification |
Contributing
See CONTRIBUTING.md.
License
BSD-3-Clause — see LICENSE.
Metadata
Release files for molcrafts-molcfg 1.5.1
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|---|---|---|---|---|
| molcrafts_molcfg-1.5.1-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 68.4 kB
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