references¶
CONFIG: ServerConfig = ServerConfig()
module-attribute
¶
This singleton loads the config from a hierarchy of sources (see
customise_sources
)
and makes it importable in the server code.
ERROR_RESPONSES: Optional[dict[int, dict[str, Any]]] = {err.status_code: {'model': ErrorResponse, 'description': err.title}for err in POSSIBLE_ERRORS}
module-attribute
¶
references_coll = create_collection(name=CONFIG.references_collection, resource_cls=ReferenceResource, resource_mapper=ReferenceMapper)
module-attribute
¶
router = APIRouter(redirect_slashes=True)
module-attribute
¶
EntryListingQueryParams
¶
Bases: BaseQueryParams
Common query params for all Entry listing endpoints.
Attributes:
Name | Type | Description |
---|---|---|
filter |
str
|
A filter string, in the format described in section API Filtering Format Specification of the specification. |
response_format |
str
|
The output format requested (see section Response Format). Defaults to the format string 'json', which specifies the standard output format described in this specification. Example: |
email_address |
EmailStr
|
An email address of the user making the request. The email SHOULD be that of a person and not an automatic system. Example: |
response_fields |
str
|
A comma-delimited set of fields to be provided in the output. If provided, these fields MUST be returned along with the REQUIRED fields. Other OPTIONAL fields MUST NOT be returned when this parameter is present. Example: |
sort |
str
|
If supporting sortable queries, an implementation MUST use the An implementation MAY support multiple sort fields for a single query. If it does, it again MUST conform to the JSON API 1.0 specification. If an implementation supports sorting for an entry listing endpoint, then the |
page_limit |
int
|
Sets a numerical limit on the number of entries returned.
See JSON API 1.0.
The API implementation MUST return no more than the number specified.
It MAY return fewer. The database MAY have a maximum limit and not accept larger numbers
(in which case an error code -- Example: |
page_offset |
int
|
RECOMMENDED for use with offset-based pagination: using Example: Skip 50 structures and fetch up to 100: |
page_number |
int
|
RECOMMENDED for use with page-based pagination: using Example: Fetch page 2 of up to 50 structures per page: |
page_cursor |
int
|
RECOMMENDED for use with cursor-based pagination: using |
page_above |
str
|
RECOMMENDED for use with value-based pagination: using Example: Fetch up to 100 structures above sort-field value 4000 (in this example, server chooses to fetch results sorted by
increasing |
page_below |
str
|
RECOMMENDED for use with value-based pagination: using |
include |
str
|
A server MAY implement the JSON API concept of returning compound documents
by utilizing the All related resource objects MUST be returned as part of an array value for the top-level The value of The default value for Note: A query with the parameter |
api_hint |
str
|
If the client provides the parameter, the value SHOULD have the format |
Source code in optimade/server/query_params.py
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|
check_params(query_params)
¶
This method checks whether all the query parameters that are specified
in the URL string are implemented in the relevant *QueryParams
class.
This method handles four cases:
- If a query parameter is passed that is not defined in the relevant
*QueryParams
class, and it is not prefixed with a known provider prefix, then aBadRequest
is raised. - If a query parameter is passed that is not defined in the relevant
*QueryParams
class, that is prefixed with a known provider prefix, then the parameter is silently ignored - If a query parameter is passed that is not defined in the relevant
*QueryParams
class, that is prefixed with an unknown provider prefix, then aUnknownProviderQueryParameter
warning is emitted. - If a query parameter is passed that is on the
unsupported_params
list for the inherited class, then aQueryParamNotUsed
warning is emitted.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
query_params |
Iterable[str]
|
An iterable of the request's string query parameters. |
required |
Raises:
Type | Description |
---|---|
`BadRequest`
|
if the query parameter was not found in the relevant class, or if it does not have a valid prefix. |
Source code in optimade/server/query_params.py
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|
ReferenceMapper
¶
Bases: BaseResourceMapper
Source code in optimade/server/mappers/references.py
7 8 |
|
ALL_ATTRIBUTES()
¶
Returns all attributes served by this entry.
Source code in optimade/server/mappers/entries.py
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|
ENDPOINT()
cached
¶
Returns the expected endpoint for this mapper, corresponding
to the type
property of the resource class.
Source code in optimade/server/mappers/entries.py
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|
ENTRY_RESOURCE_ATTRIBUTES()
¶
Returns the dictionary of attributes defined by the underlying entry resource class.
Source code in optimade/server/mappers/entries.py
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|
SUPPORTED_PREFIXES()
cached
¶
A set of prefixes handled by this entry type.
Note
This implementation only includes the provider prefix, but in the future this property may be extended to include other namespaces (for serving fields from, e.g., other providers or domain-specific terms).
Source code in optimade/server/mappers/entries.py
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|
alias_for(field)
cached
classmethod
¶
Return aliased field name.
Deprecated
This method is deprecated could be removed without further warning. Please use
get_backend_field()
.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
field |
str
|
OPTIMADE field name. |
required |
Returns:
Type | Description |
---|---|
str
|
Aliased field as found in |
Source code in optimade/server/mappers/entries.py
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|
alias_of(field)
cached
classmethod
¶
Return de-aliased field name, if it exists, otherwise return the input field name.
Deprecated
This method is deprecated could be removed without further warning. Please use
get_optimade_field()
.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
field |
str
|
Field name to be de-aliased. |
required |
Returns:
Type | Description |
---|---|
str
|
De-aliased field name, falling back to returning |
Source code in optimade/server/mappers/entries.py
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|
all_aliases()
cached
classmethod
¶
Returns all of the associated aliases for this entry type, including those defined by the server config. The first member of each tuple is the OPTIMADE-compliant field name, the second is the backend-specific field name.
Returns:
Type | Description |
---|---|
Iterable[tuple[str, str]]
|
A tuple of alias tuples. |
Source code in optimade/server/mappers/entries.py
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|
all_length_aliases()
cached
classmethod
¶
Returns all of the associated length aliases for this class, including those defined by the server config.
Returns:
Type | Description |
---|---|
tuple[tuple[str, str], ...]
|
A tuple of length alias tuples. |
Source code in optimade/server/mappers/entries.py
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|
deserialize(results)
classmethod
¶
Converts the raw database entries for this class into serialized models, mapping the data along the way.
Source code in optimade/server/mappers/entries.py
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|
get_backend_field(optimade_field)
cached
classmethod
¶
Return the field name configured for the particular underlying database for the passed OPTIMADE field name, that would be used in an API filter.
Aliases are read from
all_aliases()
.
If a dot-separated OPTIMADE field is provided, e.g., species.mass
, only the first part will be mapped.
This means for an (OPTIMADE, DB) alias of (species
, kinds
), get_backend_fields("species.mass")
will return kinds.mass
.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
optimade_field |
str
|
The OPTIMADE field to attempt to map to the backend-specific field. |
required |
Examples:
>>> get_backend_field("chemical_formula_anonymous")
'formula_anon'
>>> get_backend_field("formula_anon")
'formula_anon'
>>> get_backend_field("_exmpl_custom_provider_field")
'custom_provider_field'
Returns:
Type | Description |
---|---|
str
|
The mapped field name to be used in the query to the backend. |
Source code in optimade/server/mappers/entries.py
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|
get_optimade_field(backend_field)
cached
classmethod
¶
Return the corresponding OPTIMADE field name for the underlying database field, ready to be used to construct the OPTIMADE-compliant JSON response.
Aliases are read from
all_aliases()
.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
backend_field |
str
|
The backend field to attempt to map to an OPTIMADE field. |
required |
Examples:
>>> get_optimade_field("chemical_formula_anonymous")
'chemical_formula_anonymous'
>>> get_optimade_field("formula_anon")
'chemical_formula_anonymous'
>>> get_optimade_field("custom_provider_field")
'_exmpl_custom_provider_field'
Returns:
Type | Description |
---|---|
str
|
The mapped field name to be used in an OPTIMADE-compliant response. |
Source code in optimade/server/mappers/entries.py
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|
get_required_fields()
cached
classmethod
¶
Get REQUIRED response fields.
Returns:
Type | Description |
---|---|
set
|
REQUIRED response fields. |
Source code in optimade/server/mappers/entries.py
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|
length_alias_for(field)
cached
classmethod
¶
Returns the length alias for the particular field,
or None
if no such alias is found.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
field |
str
|
OPTIMADE field name. |
required |
Returns:
Type | Description |
---|---|
Optional[str]
|
Aliased field as found in |
Source code in optimade/server/mappers/entries.py
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|
map_back(doc)
classmethod
¶
Map properties from MongoDB to OPTIMADE.
Starting from a MongoDB document doc
, map the DB fields to the corresponding OPTIMADE fields.
Then, the fields are all added to the top-level field "attributes",
with the exception of other top-level fields, defined in cls.TOP_LEVEL_NON_ATTRIBUTES_FIELDS
.
All fields not in cls.TOP_LEVEL_NON_ATTRIBUTES_FIELDS
+ "attributes" will be removed.
Finally, the type
is given the value of the specified cls.ENDPOINT
.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
doc |
dict
|
A resource object in MongoDB format. |
required |
Returns:
Type | Description |
---|---|
dict
|
A resource object in OPTIMADE format. |
Source code in optimade/server/mappers/entries.py
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|
ReferenceResource
¶
Bases: EntryResource
The references
entries describe bibliographic references.
The following properties are used to provide the bibliographic details:
- address, annote, booktitle, chapter, crossref, edition, howpublished, institution, journal, key, month, note, number, organization, pages, publisher, school, series, title, volume, year: meanings of these properties match the BibTeX specification, values are strings;
- bib_type: type of the reference, corresponding to type property in the BibTeX specification, value is string;
- authors and editors: lists of person objects which are dictionaries with the following keys:
- name: Full name of the person, REQUIRED.
- firstname, lastname: Parts of the person's name, OPTIONAL.
- doi and url: values are strings.
- Requirements/Conventions:
- Support: OPTIONAL support in implementations, i.e., any of the properties MAY be
null
. - Query: Support for queries on any of these properties is OPTIONAL. If supported, filters MAY support only a subset of comparison operators.
- Every references entry MUST contain at least one of the properties.
- Support: OPTIONAL support in implementations, i.e., any of the properties MAY be
Source code in optimade/models/references.py
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|
ReferenceResponseMany
¶
Bases: EntryResponseMany
Source code in optimade/models/responses.py
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|
model_config = ConfigDict(json_encoders={datetime: lambda : v.astimezone(timezone.utc).strftime('%Y-%m-%dT%H:%M:%SZ')})
class-attribute
instance-attribute
¶
The specification mandates that datetimes must be encoded following RFC3339, which does not support fractional seconds, thus they must be stripped in the response. This can cause issues when the underlying database contains fields that do include microseconds, as filters may return unexpected results.
either_data_meta_or_errors_must_be_set()
¶
Overwriting the existing validation function, since 'errors' MUST NOT be set.
Source code in optimade/models/optimade_json.py
387 388 389 390 391 392 393 394 395 396 397 398 399 400 |
|
ReferenceResponseOne
¶
Bases: EntryResponseOne
Source code in optimade/models/responses.py
141 142 143 144 145 146 147 148 |
|
model_config = ConfigDict(json_encoders={datetime: lambda : v.astimezone(timezone.utc).strftime('%Y-%m-%dT%H:%M:%SZ')})
class-attribute
instance-attribute
¶
The specification mandates that datetimes must be encoded following RFC3339, which does not support fractional seconds, thus they must be stripped in the response. This can cause issues when the underlying database contains fields that do include microseconds, as filters may return unexpected results.
either_data_meta_or_errors_must_be_set()
¶
Overwriting the existing validation function, since 'errors' MUST NOT be set.
Source code in optimade/models/optimade_json.py
387 388 389 390 391 392 393 394 395 396 397 398 399 400 |
|
SingleEntryQueryParams
¶
Bases: BaseQueryParams
Common query params for single entry endpoints.
Attributes:
Name | Type | Description |
---|---|---|
response_format |
str
|
The output format requested (see section Response Format). Defaults to the format string 'json', which specifies the standard output format described in this specification. Example: |
email_address |
EmailStr
|
An email address of the user making the request. The email SHOULD be that of a person and not an automatic system. Example: |
response_fields |
str
|
A comma-delimited set of fields to be provided in the output. If provided, these fields MUST be returned along with the REQUIRED fields. Other OPTIONAL fields MUST NOT be returned when this parameter is present. Example: |
include |
str
|
A server MAY implement the JSON API concept of returning compound documents
by utilizing the All related resource objects MUST be returned as part of an array value for the top-level The value of The default value for Note: A query with the parameter |
api_hint |
str
|
If the client provides the parameter, the value SHOULD have the format |
Source code in optimade/server/query_params.py
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|
check_params(query_params)
¶
This method checks whether all the query parameters that are specified
in the URL string are implemented in the relevant *QueryParams
class.
This method handles four cases:
- If a query parameter is passed that is not defined in the relevant
*QueryParams
class, and it is not prefixed with a known provider prefix, then aBadRequest
is raised. - If a query parameter is passed that is not defined in the relevant
*QueryParams
class, that is prefixed with a known provider prefix, then the parameter is silently ignored - If a query parameter is passed that is not defined in the relevant
*QueryParams
class, that is prefixed with an unknown provider prefix, then aUnknownProviderQueryParameter
warning is emitted. - If a query parameter is passed that is on the
unsupported_params
list for the inherited class, then aQueryParamNotUsed
warning is emitted.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
query_params |
Iterable[str]
|
An iterable of the request's string query parameters. |
required |
Raises:
Type | Description |
---|---|
`BadRequest`
|
if the query parameter was not found in the relevant class, or if it does not have a valid prefix. |
Source code in optimade/server/query_params.py
27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 |
|
create_collection(name, resource_cls, resource_mapper)
¶
Create an EntryCollection
of the configured type, depending on the value of
CONFIG.database_backend
.
Parameters:
Name | Type | Description | Default |
---|---|---|---|
name |
str
|
The collection name. |
required |
resource_cls |
type[EntryResource]
|
The type of entry resource to be stored within the collection. |
required |
resource_mapper |
type[BaseResourceMapper]
|
The associated resource mapper for that entry resource type. |
required |
Returns:
Type | Description |
---|---|
EntryCollection
|
The created |
Source code in optimade/server/entry_collections/entry_collections.py
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|
get_entries(collection, request, params)
¶
Generalized /{entry} endpoint getter
Source code in optimade/server/routers/utils.py
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|
get_references(request, params)
¶
Source code in optimade/server/routers/references.py
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|
get_single_entry(collection, entry_id, request, params)
¶
Source code in optimade/server/routers/utils.py
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|
get_single_reference(request, entry_id, params)
¶
Source code in optimade/server/routers/references.py
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|