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optimade_json

Modified JSON API v1.0 for OPTIMADE API

BaseRelationshipMeta

Specific meta field for base relationship resource

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

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

description: str = StrictField(Ellipsis, description='OPTIONAL human-readable description of the relationship.') class-attribute

BaseRelationshipResource

Minimum requirements to represent a relationship resource

Source code in optimade/models/optimade_json.py 
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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: Optional[BaseRelationshipMeta] = StrictField(None, description="Relationship meta field. MUST contain 'description' if supplied.") class-attribute

DataType

Optimade Data Types

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

Source code in optimade/models/optimade_json.py 
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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 = 'boolean' class-attribute

DICTIONARY = 'dictionary' class-attribute

FLOAT = 'float' class-attribute

INTEGER = 'integer' class-attribute

LIST = 'list' class-attribute

STRING = 'string' class-attribute

TIMESTAMP = 'timestamp' class-attribute

UNKNOWN = 'unknown' class-attribute

from_json_type(json_type) classmethod

Get OPTIMADE data type from a named JSON type

Source code in optimade/models/optimade_json.py 
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@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)

from_python_type(python_type) classmethod

Get OPTIMADE data type from a Python type

Source code in optimade/models/optimade_json.py 
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@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)

get_values() classmethod

Get OPTIMADE data types (enum values) as a (sorted) list

Source code in optimade/models/optimade_json.py 
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@classmethod
def get_values(cls):
    """Get OPTIMADE data types (enum values) as a (sorted) list"""
    return sorted((_.value for _ in cls))

Implementation

Information on the server implementation

Source code in optimade/models/optimade_json.py 
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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: 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.') class-attribute

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.") class-attribute

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

name: Optional[str] = StrictField(None, description='name of the implementation') class-attribute

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.') class-attribute

version: Optional[str] = StrictField(None, description='version string of the current implementation') class-attribute

ImplementationMaintainer

Details about the maintainer of the implementation

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

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

email: EmailStr = StrictField(Ellipsis, description="the maintainer's email address") class-attribute

OptimadeError

detail MUST be present

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

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

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

Provider

Information on the database provider of the implementation.

Source code in optimade/models/optimade_json.py 
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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 = StrictField(Ellipsis, description='a longer description of the database provider') class-attribute

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.') class-attribute

name: str = StrictField(Ellipsis, description='a short name for the database provider') class-attribute

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

Relationship

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

Source code in optimade/models/optimade_json.py 
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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)

data: Optional[Union[BaseRelationshipResource, List[BaseRelationshipResource]]] = StrictField(None, description='Resource linkage', uniqueItems=True) class-attribute

ResponseMeta

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 
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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 = StrictField(Ellipsis, description='Presently used full version of the OPTIMADE API.\nThe version number string MUST NOT be prefixed by, e.g., "v".\nExamples: `1.0.0`, `1.0.0-rc.2`.') class-attribute

data_available: Optional[int] = StrictField(None, description='An integer containing the total number of data resource objects available in the database for the endpoint.') class-attribute

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) class-attribute

implementation: Optional[Implementation] = StrictField(None, description='a dictionary describing the server implementation') class-attribute

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

more_data_available: bool = StrictField(Ellipsis, 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).') class-attribute

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.\nIf it is a string, or a dictionary containing no `meta` field, the provided URL MUST point at an [OpenAPI](https://swagger.io/specification/) schema.\nIt is possible that future versions of this specification allows for alternative schema types.\nHence, 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.') class-attribute

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

query: ResponseMetaQuery = StrictField(Ellipsis, description='Information on the Query that was requested') class-attribute

response_message: Optional[str] = StrictField(None, description='response string from the server') class-attribute

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

warnings: Optional[List[Warnings]] = StrictField(None, description='A list of warning resource objects representing non-critical errors or warnings.\nA 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"`.\nThe field `detail` MUST be present and SHOULD contain a non-critical message, e.g., reporting unrecognized search attributes or deprecated features.\nThe field `status`, representing a HTTP response status code, MUST NOT be present for a warning resource object.\nThis is an exclusive field for error resource objects.', uniqueItems=True) class-attribute

ResponseMetaQuery

Information on the query that was requested.

Source code in optimade/models/optimade_json.py 
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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 = StrictField(Ellipsis, description='A string with the part of the URL following the versioned or unversioned base URL that serves the API.\nQuery parameters that have not been used in processing the request MAY be omitted.\nIn particular, if no query parameters have been involved in processing the request, the query part of the URL MAY be excluded.\nExample: `/structures?filter=nelements=2`') class-attribute

Success

errors are not allowed

Source code in optimade/models/optimade_json.py 
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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

meta: ResponseMeta = StrictField(Ellipsis, description='A meta object containing non-standard information') class-attribute

either_data_meta_or_errors_must_be_set(values)

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

Source code in optimade/models/optimade_json.py 
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@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

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

Config

Source code in optimade/models/optimade_json.py 
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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 
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@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)

status_must_not_be_specified(values)

Source code in optimade/models/optimade_json.py 
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@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