mp_api.client.routes.materials.eos.EOSRester¶
- class mp_api.client.routes.materials.eos.EOSRester(api_key: str | None = None, endpoint: str | None = None, include_user_agent: bool = True, session: requests.Session | None = None, s3_client: Any | None = None, debug: bool = False, monty_decode: bool = True, use_document_model: bool = True, timeout: int = 20, headers: dict | None = None, mute_progress_bars: bool = False)[source]¶
Bases:
BaseRester[EOSDoc]Initialize the REST API helper class.
- Parameters:
api_key – A String API key for accessing the MaterialsProject REST interface. Please obtain your API key at https://www.materialsproject.org/dashboard. If this is None, the code will check if there is a “PMG_MAPI_KEY” setting. If so, it will use that environment variable. This makes easier for heavy users to simply add this environment variable to their setups and MPRester can then be called without any arguments.
endpoint – Url of endpoint to access the MaterialsProject REST interface. Defaults to the standard Materials Project REST address at “https://api.materialsproject.org”, but can be changed to other urls implementing a similar interface.
include_user_agent – If True, will include a user agent with the HTTP request including information on pymatgen and system version making the API request. This helps MP support pymatgen users, and is similar to what most web browsers send with each page request. Set to False to disable the user agent.
session – requests Session object with which to connect to the API, for advanced usage only.
s3_client – boto3 S3 client object with which to connect to the object stores.ct to the object stores.ct to the object stores.
debug – if True, print the URL for every request
monty_decode – Decode the data using monty into python objects
use_document_model – If False, skip the creating the document model and return data as a dictionary. This can be simpler to work with but bypasses data validation and will not give auto-complete for available fields.
timeout – Time in seconds to wait until a request timeout error is thrown
headers – Custom headers for localhost connections.
mute_progress_bars – Whether to disable progress bars.
- __init__(api_key: str | None = None, endpoint: str | None = None, include_user_agent: bool = True, session: requests.Session | None = None, s3_client: Any | None = None, debug: bool = False, monty_decode: bool = True, use_document_model: bool = True, timeout: int = 20, headers: dict | None = None, mute_progress_bars: bool = False)¶
Initialize the REST API helper class.
- Parameters:
api_key – A String API key for accessing the MaterialsProject REST interface. Please obtain your API key at https://www.materialsproject.org/dashboard. If this is None, the code will check if there is a “PMG_MAPI_KEY” setting. If so, it will use that environment variable. This makes easier for heavy users to simply add this environment variable to their setups and MPRester can then be called without any arguments.
endpoint – Url of endpoint to access the MaterialsProject REST interface. Defaults to the standard Materials Project REST address at “https://api.materialsproject.org”, but can be changed to other urls implementing a similar interface.
include_user_agent – If True, will include a user agent with the HTTP request including information on pymatgen and system version making the API request. This helps MP support pymatgen users, and is similar to what most web browsers send with each page request. Set to False to disable the user agent.
session – requests Session object with which to connect to the API, for advanced usage only.
s3_client – boto3 S3 client object with which to connect to the object stores.ct to the object stores.ct to the object stores.
debug – if True, print the URL for every request
monty_decode – Decode the data using monty into python objects
use_document_model – If False, skip the creating the document model and return data as a dictionary. This can be simpler to work with but bypasses data validation and will not give auto-complete for available fields.
timeout – Time in seconds to wait until a request timeout error is thrown
headers – Custom headers for localhost connections.
mute_progress_bars – Whether to disable progress bars.
Methods
__init__([api_key, endpoint, ...])Initialize the REST API helper class.
count([criteria])Return a count of total documents.
get_data_by_id(document_id[, fields])search([material_ids, energies, volumes, ...])Query equations of state docs using a variety of search criteria.
Attributes
available_fieldsprimary_keys3_clientsessionsuffixsupports_versions- document_model¶
alias of
EOSDoc
- search(material_ids: str | list[str] | None = None, energies: tuple[float, float] | None = None, volumes: tuple[float, float] | None = None, num_chunks: int | None = None, chunk_size: int = 1000, all_fields: bool = True, fields: list[str] | None = None) list[EOSDoc] | list[dict][source]¶
Query equations of state docs using a variety of search criteria.
- Parameters:
material_ids (str, List[str]) – Search for equation of states associated with the specified Material IDs
energies (Tuple[float,float]) – Minimum and maximum energy in eV/atom to consider for EOS plot range.
volumes (Tuple[float,float]) – Minimum and maximum volume in A³/atom to consider for EOS plot range.
num_chunks (int) – Maximum number of chunks of data to yield. None will yield all possible.
chunk_size (int) – Number of data entries per chunk.
all_fields (bool) – Whether to return all fields in the document. Defaults to True.
fields (List[str]) – List of fields in EOSDoc to return data for. Default is material_id only if all_fields is False.
- Returns:
([EOSDoc], [dict]) List of equations of state docs or dictionaries.
