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optimade_json

Modified JSON API v1.0 for OPTIMADE API

BaseRelationshipMeta (Meta) pydantic-model

Specific meta field for base relationship resource

Source code in optimade/models/optimade_json.py 
class BaseRelationshipMeta(jsonapi.Meta):
    """Specific meta field for base relationship resource"""

    description: str = StrictField(
        ..., description="OPTIONAL human-readable description of the relationship."
    )

description: str pydantic-field required

OPTIONAL human-readable description of the relationship.

BaseRelationshipResource (BaseResource) pydantic-model

Minimum requirements to represent a relationship resource

Source code in optimade/models/optimade_json.py 
class BaseRelationshipResource(jsonapi.BaseResource):
    """Minimum requirements to represent a relationship resource"""

    meta: Optional[BaseRelationshipMeta] = StrictField(
        None,
        description="Relationship meta field. MUST contain 'description' if supplied.",
    )

meta: BaseRelationshipMeta pydantic-field

Relationship meta field. MUST contain 'description' if supplied.

DataType (Enum)

Optimade Data Types

See the section "Data types" in the OPTIMADE API specification for more information.

Source code in optimade/models/optimade_json.py 
class DataType(Enum):
    """Optimade Data Types

    See the section "Data types" in the OPTIMADE API specification for more information.
    """

    STRING = "string"
    INTEGER = "integer"
    FLOAT = "float"
    BOOLEAN = "boolean"
    TIMESTAMP = "timestamp"
    LIST = "list"
    DICTIONARY = "dictionary"
    UNKNOWN = "unknown"

    @classmethod
    def get_values(cls):
        """Get OPTIMADE data types (enum values) as a (sorted) list"""
        return sorted(_.value for _ in cls)

    @classmethod
    def from_python_type(cls, python_type: Union[type, str, object]):
        """Get OPTIMADE data type from a Python type"""
        mapping = {
            "bool": cls.BOOLEAN,
            "int": cls.INTEGER,
            "float": cls.FLOAT,
            "complex": None,
            "generator": cls.LIST,
            "list": cls.LIST,
            "tuple": cls.LIST,
            "range": cls.LIST,
            "hash": cls.INTEGER,
            "str": cls.STRING,
            "bytes": cls.STRING,
            "bytearray": None,
            "memoryview": None,
            "set": cls.LIST,
            "frozenset": cls.LIST,
            "dict": cls.DICTIONARY,
            "dict_keys": cls.LIST,
            "dict_values": cls.LIST,
            "dict_items": cls.LIST,
            "NoneType": cls.UNKNOWN,
            "None": cls.UNKNOWN,
            "datetime": cls.TIMESTAMP,
            "date": cls.TIMESTAMP,
            "time": cls.TIMESTAMP,
            "datetime.datetime": cls.TIMESTAMP,
            "datetime.date": cls.TIMESTAMP,
            "datetime.time": cls.TIMESTAMP,
        }

        if isinstance(python_type, type):
            python_type = python_type.__name__
        elif isinstance(python_type, object):
            if str(python_type) in mapping:
                python_type = str(python_type)
            else:
                python_type = type(python_type).__name__

        return mapping.get(python_type, None)

    @classmethod
    def from_json_type(cls, json_type: str):
        """Get OPTIMADE data type from a named JSON type"""
        mapping = {
            "string": cls.STRING,
            "integer": cls.INTEGER,
            "number": cls.FLOAT,  # actually includes both integer and float
            "object": cls.DICTIONARY,
            "array": cls.LIST,
            "boolean": cls.BOOLEAN,
            "null": cls.UNKNOWN,
            # OpenAPI "format"s:
            "double": cls.FLOAT,
            "float": cls.FLOAT,
            "int32": cls.INTEGER,
            "int64": cls.INTEGER,
            "date": cls.TIMESTAMP,
            "date-time": cls.TIMESTAMP,
            "password": cls.STRING,
            "byte": cls.STRING,
            "binary": cls.STRING,
            # Non-OpenAPI "format"s, but may still be used by pydantic/FastAPI
            "email": cls.STRING,
            "uuid": cls.STRING,
            "uri": cls.STRING,
            "hostname": cls.STRING,
            "ipv4": cls.STRING,
            "ipv6": cls.STRING,
        }

        return mapping.get(json_type, None)

BOOLEAN

DICTIONARY

FLOAT

INTEGER

LIST

STRING

TIMESTAMP

UNKNOWN

Implementation (BaseModel) pydantic-model

Information on the server implementation

Source code in optimade/models/optimade_json.py 
class Implementation(BaseModel):
    """Information on the server implementation"""

    name: Optional[str] = StrictField(None, description="name of the implementation")

    version: Optional[str] = StrictField(
        None, description="version string of the current implementation"
    )

    homepage: Optional[Union[AnyHttpUrl, jsonapi.Link]] = StrictField(
        None,
        description="A [JSON API links object](http://jsonapi.org/format/1.0/#document-links) pointing to the homepage of the implementation.",
    )

    source_url: Optional[Union[AnyUrl, jsonapi.Link]] = StrictField(
        None,
        description="A [JSON API links object](http://jsonapi.org/format/1.0/#document-links) pointing to the implementation source, either downloadable archive or version control system.",
    )

    maintainer: Optional[ImplementationMaintainer] = StrictField(
        None,
        description="A dictionary providing details about the maintainer of the implementation.",
    )

    issue_tracker: Optional[Union[AnyUrl, jsonapi.Link]] = StrictField(
        None,
        description="A [JSON API links object](http://jsonapi.org/format/1.0/#document-links) pointing to the implementation's issue tracker.",
    )

homepage: Union[pydantic.networks.AnyHttpUrl, optimade.models.jsonapi.Link] pydantic-field

A JSON API links object pointing to the homepage of the implementation.

issue_tracker: Union[pydantic.networks.AnyUrl, optimade.models.jsonapi.Link] pydantic-field

A JSON API links object pointing to the implementation's issue tracker.

maintainer: ImplementationMaintainer pydantic-field

A dictionary providing details about the maintainer of the implementation.

name: str pydantic-field

name of the implementation

source_url: Union[pydantic.networks.AnyUrl, optimade.models.jsonapi.Link] pydantic-field

A JSON API links object pointing to the implementation source, either downloadable archive or version control system.

version: str pydantic-field

version string of the current implementation

ImplementationMaintainer (BaseModel) pydantic-model

Details about the maintainer of the implementation

Source code in optimade/models/optimade_json.py 
class ImplementationMaintainer(BaseModel):
    """Details about the maintainer of the implementation"""

    email: EmailStr = StrictField(..., description="the maintainer's email address")

email: EmailStr pydantic-field required

the maintainer's email address

OptimadeError (Error) pydantic-model

detail MUST be present

Source code in optimade/models/optimade_json.py 
class OptimadeError(jsonapi.Error):
    """detail MUST be present"""

    detail: str = StrictField(
        ...,
        description="A human-readable explanation specific to this occurrence of the problem.",
    )

__hash__(self) special

Source code in optimade/models/optimade_json.py 
def __hash__(self):
    return hash(self.json())

Provider (BaseModel) pydantic-model

Information on the database provider of the implementation.

Source code in optimade/models/optimade_json.py 
class Provider(BaseModel):
    """Information on the database provider of the implementation."""

    name: str = StrictField(..., description="a short name for the database provider")

    description: str = StrictField(
        ..., description="a longer description of the database provider"
    )

    prefix: str = StrictField(
        ...,
        regex=r"^[a-z]([a-z]|[0-9]|_)*$",
        description="database-provider-specific prefix as found in section Database-Provider-Specific Namespace Prefixes.",
    )

    homepage: Optional[Union[AnyHttpUrl, jsonapi.Link]] = StrictField(
        None,
        description="a [JSON API links object](http://jsonapi.org/format/1.0#document-links) "
        "pointing to homepage of the database provider, either "
        "directly as a string, or as a link object.",
    )

description: str pydantic-field required

a longer description of the database provider

homepage: Union[pydantic.networks.AnyHttpUrl, optimade.models.jsonapi.Link] pydantic-field

a JSON API links object pointing to homepage of the database provider, either directly as a string, or as a link object.

name: str pydantic-field required

a short name for the database provider

prefix: ConstrainedStrValue pydantic-field required

database-provider-specific prefix as found in section Database-Provider-Specific Namespace Prefixes.

Relationship (Relationship) pydantic-model

Similar to normal JSON API relationship, but with addition of OPTIONAL meta field for a resource.

Source code in optimade/models/optimade_json.py 
class Relationship(jsonapi.Relationship):
    """Similar to normal JSON API relationship, but with addition of OPTIONAL meta field for a resource."""

    data: Optional[
        Union[BaseRelationshipResource, list[BaseRelationshipResource]]
    ] = StrictField(None, description="Resource linkage", uniqueItems=True)

ResponseMeta (Meta) pydantic-model

A JSON API meta member that contains JSON API meta objects of non-standard meta-information.

OPTIONAL additional information global to the query that is not specified in this document, MUST start with a database-provider-specific prefix.

Source code in optimade/models/optimade_json.py 
class ResponseMeta(jsonapi.Meta):
    """
    A [JSON API meta member](https://jsonapi.org/format/1.0#document-meta)
    that contains JSON API meta objects of non-standard
    meta-information.

    OPTIONAL additional information global to the query that is not
    specified in this document, MUST start with a
    database-provider-specific prefix.
    """

    query: ResponseMetaQuery = StrictField(
        ..., description="Information on the Query that was requested"
    )

    api_version: SemanticVersion = StrictField(
        ...,
        description="""Presently used full version of the OPTIMADE API.
The version number string MUST NOT be prefixed by, e.g., "v".
Examples: `1.0.0`, `1.0.0-rc.2`.""",
    )

    more_data_available: bool = StrictField(
        ...,
        description="`false` if the response contains all data for the request (e.g., a request issued to a single entry endpoint, or a `filter` query at the last page of a paginated response) and `true` if the response is incomplete in the sense that multiple objects match the request, and not all of them have been included in the response (e.g., a query with multiple pages that is not at the last page).",
    )

    # start of "SHOULD" fields for meta response
    optimade_schema: Optional[Union[AnyHttpUrl, jsonapi.Link]] = StrictField(
        None,
        alias="schema",
        description="""A [JSON API links object](http://jsonapi.org/format/1.0/#document-links) that points to a schema for the response.
If it is a string, or a dictionary containing no `meta` field, the provided URL MUST point at an [OpenAPI](https://swagger.io/specification/) schema.
It is possible that future versions of this specification allows for alternative schema types.
Hence, if the `meta` field of the JSON API links object is provided and contains a field `schema_type` that is not equal to the string `OpenAPI` the client MUST not handle failures to parse the schema or to validate the response against the schema as errors.""",
    )

    time_stamp: Optional[datetime] = StrictField(
        None,
        description="A timestamp containing the date and time at which the query was executed.",
    )

    data_returned: Optional[int] = StrictField(
        None,
        description="An integer containing the total number of data resource objects returned for the current `filter` query, independent of pagination.",
        ge=0,
    )

    provider: Optional[Provider] = StrictField(
        None, description="information on the database provider of the implementation."
    )

    # start of "MAY" fields for meta response
    data_available: Optional[int] = StrictField(
        None,
        description="An integer containing the total number of data resource objects available in the database for the endpoint.",
    )

    last_id: Optional[str] = StrictField(
        None, description="a string containing the last ID returned"
    )

    response_message: Optional[str] = StrictField(
        None, description="response string from the server"
    )

    implementation: Optional[Implementation] = StrictField(
        None, description="a dictionary describing the server implementation"
    )

    warnings: Optional[list[Warnings]] = StrictField(
        None,
        description="""A list of warning resource objects representing non-critical errors or warnings.
A warning resource object is defined similarly to a [JSON API error object](http://jsonapi.org/format/1.0/#error-objects), but MUST also include the field `type`, which MUST have the value `"warning"`.
The field `detail` MUST be present and SHOULD contain a non-critical message, e.g., reporting unrecognized search attributes or deprecated features.
The field `status`, representing a HTTP response status code, MUST NOT be present for a warning resource object.
This is an exclusive field for error resource objects.""",
        uniqueItems=True,
    )

api_version: SemanticVersion pydantic-field required

Presently used full version of the OPTIMADE API. The version number string MUST NOT be prefixed by, e.g., "v". Examples: 1.0.0, 1.0.0-rc.2.

data_available: int pydantic-field

An integer containing the total number of data resource objects available in the database for the endpoint.

data_returned: ConstrainedIntValue pydantic-field

An integer containing the total number of data resource objects returned for the current filter query, independent of pagination.

implementation: Implementation pydantic-field

a dictionary describing the server implementation

last_id: str pydantic-field

a string containing the last ID returned

more_data_available: bool pydantic-field required

false if the response contains all data for the request (e.g., a request issued to a single entry endpoint, or a filter query at the last page of a paginated response) and true if the response is incomplete in the sense that multiple objects match the request, and not all of them have been included in the response (e.g., a query with multiple pages that is not at the last page).

optimade_schema: Union[pydantic.networks.AnyHttpUrl, optimade.models.jsonapi.Link] pydantic-field

A JSON API links object that points to a schema for the response. If it is a string, or a dictionary containing no meta field, the provided URL MUST point at an OpenAPI schema. It is possible that future versions of this specification allows for alternative schema types. Hence, if the meta field of the JSON API links object is provided and contains a field schema_type that is not equal to the string OpenAPI the client MUST not handle failures to parse the schema or to validate the response against the schema as errors.

provider: Provider pydantic-field

information on the database provider of the implementation.

query: ResponseMetaQuery pydantic-field required

Information on the Query that was requested

response_message: str pydantic-field

response string from the server

time_stamp: datetime pydantic-field

A timestamp containing the date and time at which the query was executed.

warnings: list pydantic-field

A list of warning resource objects representing non-critical errors or warnings. A warning resource object is defined similarly to a JSON API error object, but MUST also include the field type, which MUST have the value "warning". The field detail MUST be present and SHOULD contain a non-critical message, e.g., reporting unrecognized search attributes or deprecated features. The field status, representing a HTTP response status code, MUST NOT be present for a warning resource object. This is an exclusive field for error resource objects.

ResponseMetaQuery (BaseModel) pydantic-model

Information on the query that was requested.

Source code in optimade/models/optimade_json.py 
class ResponseMetaQuery(BaseModel):
    """Information on the query that was requested."""

    representation: str = StrictField(
        ...,
        description="""A string with the part of the URL following the versioned or unversioned base URL that serves the API.
Query parameters that have not been used in processing the request MAY be omitted.
In particular, if no query parameters have been involved in processing the request, the query part of the URL MAY be excluded.
Example: `/structures?filter=nelements=2`""",
    )

representation: str pydantic-field required

A string with the part of the URL following the versioned or unversioned base URL that serves the API. Query parameters that have not been used in processing the request MAY be omitted. In particular, if no query parameters have been involved in processing the request, the query part of the URL MAY be excluded. Example: /structures?filter=nelements=2

Success (Response) pydantic-model

errors are not allowed

Source code in optimade/models/optimade_json.py 
class Success(jsonapi.Response):
    """errors are not allowed"""

    meta: ResponseMeta = StrictField(
        ..., description="A meta object containing non-standard information"
    )

    @root_validator(pre=True)
    def either_data_meta_or_errors_must_be_set(cls, values):
        """Overwriting the existing validation function, since 'errors' MUST NOT be set."""
        required_fields = ("data", "meta")
        if not any(field in values for field in required_fields):
            raise ValueError(
                f"At least one of {required_fields} MUST be specified in the top-level response."
            )

        # errors MUST be skipped
        if "errors" in values:
            raise ValueError("'errors' MUST be skipped for a successful response.")

        return values

either_data_meta_or_errors_must_be_set(values) classmethod

Overwriting the existing validation function, since 'errors' MUST NOT be set.

Source code in optimade/models/optimade_json.py 
@root_validator(pre=True)
def either_data_meta_or_errors_must_be_set(cls, values):
    """Overwriting the existing validation function, since 'errors' MUST NOT be set."""
    required_fields = ("data", "meta")
    if not any(field in values for field in required_fields):
        raise ValueError(
            f"At least one of {required_fields} MUST be specified in the top-level response."
        )

    # errors MUST be skipped
    if "errors" in values:
        raise ValueError("'errors' MUST be skipped for a successful response.")

    return values

Warnings (OptimadeError) pydantic-model

OPTIMADE-specific warning class based on OPTIMADE-specific JSON API Error.

From the specification:

A warning resource object is defined similarly to a JSON API error object, but MUST also include the field type, which MUST have the value "warning". The field detail MUST be present and SHOULD contain a non-critical message, e.g., reporting unrecognized search attributes or deprecated features.

Note: Must be named "Warnings", since "Warning" is a built-in Python class.

Source code in optimade/models/optimade_json.py 
class Warnings(OptimadeError):
    """OPTIMADE-specific warning class based on OPTIMADE-specific JSON API Error.

    From the specification:

    A warning resource object is defined similarly to a JSON API error object, but MUST also include the field type, which MUST have the value "warning".
    The field detail MUST be present and SHOULD contain a non-critical message, e.g., reporting unrecognized search attributes or deprecated features.

    Note: Must be named "Warnings", since "Warning" is a built-in Python class.

    """

    type: str = StrictField(
        "warning",
        description='Warnings must be of type "warning"',
        regex="^warning$",
    )

    @root_validator(pre=True)
    def status_must_not_be_specified(cls, values):
        if values.get("status", None) is not None:
            raise ValueError("status MUST NOT be specified for warnings")
        return values

    class Config:
        @staticmethod
        def schema_extra(schema: dict[str, Any], model: type["Warnings"]) -> None:
            """Update OpenAPI JSON schema model for `Warning`.

            * Ensure `type` is in the list required properties and in the correct place.
            * Remove `status` property.
              This property is not allowed for `Warning`, nor is it a part of the OPTIMADE
              definition of the `Warning` object.

            Note:
                Since `type` is the _last_ model field defined, it will simply be appended.

            """
            if "required" in schema:
                if "type" not in schema["required"]:
                    schema["required"].append("type")
                else:
                    schema["required"] = ["type"]
            schema.get("properties", {}).pop("status", None)

type: ConstrainedStrValue pydantic-field

Warnings must be of type "warning"

Config

Source code in optimade/models/optimade_json.py 
class Config:
    @staticmethod
    def schema_extra(schema: dict[str, Any], model: type["Warnings"]) -> None:
        """Update OpenAPI JSON schema model for `Warning`.

        * Ensure `type` is in the list required properties and in the correct place.
        * Remove `status` property.
          This property is not allowed for `Warning`, nor is it a part of the OPTIMADE
          definition of the `Warning` object.

        Note:
            Since `type` is the _last_ model field defined, it will simply be appended.

        """
        if "required" in schema:
            if "type" not in schema["required"]:
                schema["required"].append("type")
            else:
                schema["required"] = ["type"]
        schema.get("properties", {}).pop("status", None)

schema_extra(schema, model) staticmethod

Update OpenAPI JSON schema model for Warning.

  • Ensure type is in the list required properties and in the correct place.
  • Remove status property. This property is not allowed for Warning, nor is it a part of the OPTIMADE definition of the Warning object.

Note

Since type is the last model field defined, it will simply be appended.

Source code in optimade/models/optimade_json.py 
@staticmethod
def schema_extra(schema: dict[str, Any], model: type["Warnings"]) -> None:
    """Update OpenAPI JSON schema model for `Warning`.

    * Ensure `type` is in the list required properties and in the correct place.
    * Remove `status` property.
      This property is not allowed for `Warning`, nor is it a part of the OPTIMADE
      definition of the `Warning` object.

    Note:
        Since `type` is the _last_ model field defined, it will simply be appended.

    """
    if "required" in schema:
        if "type" not in schema["required"]:
            schema["required"].append("type")
        else:
            schema["required"] = ["type"]
    schema.get("properties", {}).pop("status", None)

__hash__(self) special

Source code in optimade/models/optimade_json.py 
def __hash__(self):
    return hash(self.json())

status_must_not_be_specified(values) classmethod

Source code in optimade/models/optimade_json.py 
@root_validator(pre=True)
def status_must_not_be_specified(cls, values):
    if values.get("status", None) is not None:
        raise ValueError("status MUST NOT be specified for warnings")
    return values