Source code for matador.config.config

# coding: utf-8
# Distributed under the terms of the MIT License.

""" This file implements the loading custom settings for plotting and
for database collections.


import os
from pathlib import Path
from traceback import print_exc
from matador.utils.print_utils import print_warning
from matador.config.settings import Settings
from matador.config.quickstart import quickstart_settings

SETTINGS = Settings()

    "mongo": {
        "db": "crystals",
        "host": "localhost",
        "port": 27017,
        "default_collection": "repo",
    "plotting": {
        "default_style": "matador",
        "element_colours": Path(__file__).parent.joinpath("vesta_elements.ini"),
    "run3": {
        "scratch_prefix": ".",
        "castep_executable": "castep",
        "optados_executable": "optados",

    "mongo": ["default_collection_file_path", "scratch_prefix"],
    "plotting": ["element_colours"],

[docs]def load_custom_settings( config_fname=None, quiet=False, debug=False, no_quickstart=True ): """Load mongodb settings dict from file given by fname, or from defaults. Hierarchy of filenames to check: 1. .matadorrc 2. ~/.matadorrc 3. ~/.config/matadorrc Keyword Arguments: fname (str): filename of custom settings file. quiet (bool): print nothing on loading. no_quickstart (bool): for testing purposes, override any questions. debug (bool): print settings on loading. """ if SETTINGS.set: return SETTINGS import yaml if config_fname is None: trial_user_fnames = [ Path(".matadorrc"), Path(os.path.expanduser("~/.matadorrc")), Path(os.path.expanduser("~/.config/matadorrc")), Path(__file__).parent.joinpath("matadorrc.yml"), ] # use first file that exists in hierarchy for fname in trial_user_fnames: if os.path.isfile(fname): config_fname = str(fname) break else: # otherwise offer to create one, or use default if not no_quickstart: config_fname = quickstart_settings() if config_fname is None: # otherwise load default print( "No config provided: loading perhaps unsuitable defaults instead." ) config_fname = (Path(__file__).parent.joinpath("matadorrc.yml"),) if not quiet: print("Loading settings from {}".format(config_fname)) custom_settings = {} if os.path.isfile(config_fname): try: with open(config_fname, "r") as f: custom_settings = yaml.safe_load(f) if custom_settings is None: custom_settings = {} except Exception: print_exc() raise SystemExit( "Failed to read custom settings file {} as YAML".format(config_fname) ) else: print_warning( "Could not find {}, loading default settings...".format(config_fname) ) settings = {} settings.update(DEFAULT_SETTINGS) settings.update(custom_settings) # check absolute/relative paths for key in FILE_PATHS: for setting in FILE_PATHS[key]: if settings.get(key) is not None: if settings[key].get(setting) is not None: settings[key][setting] = str( Path(os.path.expanduser(settings[key][setting])).resolve() ) if debug: import json print(json.dumps(settings, indent=2)) set_settings(settings, override=False) return SETTINGS
[docs]def set_settings(settings, override=True): """Updates the global settings with the dictionary provided. Parameters: settings (dict): the key-value pairs to use. Keyword arguments: override (bool): whether or not to override previous settings, or just update. """ if SETTINGS.set and not override: return for key in settings: if key not in SETTINGS: SETTINGS[key] = {} for _key in settings[key]: SETTINGS[key][_key] = settings[key][_key] SETTINGS.set = True