@mat3ra/esse 2024.4.8-0 → 2024.4.8-2

package/dist/py/workflow/unit/io/__init__.py

@@ -1,254 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  workflow/unit/io.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Any, Dict, List, Optional, Union
-
-from pydantic import BaseModel, ConfigDict, Field
-
-
-class Type(Enum):
-    io = "io"
-
-
-class Subtype(Enum):
-    input = "input"
-    output = "output"
-    dataFrame = "dataFrame"
-
-
-class Source(Enum):
-    api = "api"
-    db = "db"
-    object_storage = "object_storage"
-
-
-class DataIORestAPIInputSchema(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    endpoint: str
-    """
-    rest API endpoint
-    """
-    endpoint_options: Dict[str, Any]
-    """
-    rest API endpoint options
-    """
-    name: Optional[str] = None
-    """
-    the name of the variable in local scope to save the data under
-    """
-
-
-class DataIODatabaseInputOutputSchema(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    ids: List[str]
-    """
-    IDs of item to retrieve from db
-    """
-
-
-class DataIODatabaseInputOutputSchema3(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    collection: str
-    """
-    db collection name
-    """
-    draft: bool
-    """
-    whether the result should be saved as draft
-    """
-
-
-class ObjectStorageContainerData(BaseModel):
-    CONTAINER: Optional[str] = None
-    """
-    Object storage container for the file
-    """
-    NAME: Optional[str] = None
-    """
-    Name of the file inside the object storage bucket
-    """
-    PROVIDER: Optional[str] = None
-    """
-    Object storage provider
-    """
-    REGION: Optional[str] = None
-    """
-    Region for the object container specified in Container
-    """
-    SIZE: Optional[int] = None
-    """
-    Size of the file in bytes
-    """
-    TIMESTAMP: Optional[str] = None
-    """
-    Unix timestamp showing when the file was last modified
-    """
-
-
-class ObjectStorageIoSchema(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    objectData: ObjectStorageContainerData = Field(..., title="Object Storage Container Data")
-    overwrite: Optional[bool] = False
-    """
-    if a file with the same filename already exists, whether to overwrite the old file
-    """
-    pathname: Optional[str] = None
-    """
-    Relative path to the directory that contains the file.
-    """
-    basename: Optional[str] = None
-    """
-    Basename of the file
-    """
-    filetype: Optional[str] = None
-    """
-    What kind of file this is, e.g. image / text
-    """
-
-
-class Status(Enum):
-    idle = "idle"
-    active = "active"
-    warning = "warning"
-    error = "error"
-    finished = "finished"
-
-
-class Name(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class Severity(Enum):
-    info = "info"
-    warning = "warning"
-    error = "error"
-
-
-class ConsistencyCheck(BaseModel):
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    name: Name
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class NameResultSchema(BaseModel):
-    name: str
-    """
-    The name of this item. e.g. scf_accuracy
-    """
-
-
-class StatusTrackItem(BaseModel):
-    trackedAt: float
-    status: str
-    repetition: Optional[float] = None
-
-
-class DataIOUnitSchema(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    type: Type
-    """
-    type of the unit
-    """
-    subtype: Subtype
-    source: Source
-    input: List[
-        Union[
-            DataIORestAPIInputSchema,
-            Union[DataIODatabaseInputOutputSchema, DataIODatabaseInputOutputSchema3],
-            ObjectStorageIoSchema,
-        ]
-    ]
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    isDraft: Optional[bool] = None
-    name: Optional[str] = None
-    """
-    name of the unit. e.g. pw_scf
-    """
-    status: Optional[Status] = None
-    """
-    Status of the unit.
-    """
-    head: Optional[bool] = None
-    """
-    Whether this unit is the first one to be executed.
-    """
-    flowchartId: str
-    """
-    Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
-    """
-    next: Optional[str] = None
-    """
-    Next unit's flowchartId. If empty, the current unit is the last.
-    """
-    enableRender: Optional[bool] = None
-    """
-    Whether Rupy should attempt to use Jinja templating to add context variables into the unit
-    """
-    context: Optional[Dict[str, Any]] = None
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck]] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-    preProcessors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the pre-processors for this calculation
-    """
-    postProcessors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the post-processors for this calculation
-    """
-    monitors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the monitors for this calculation
-    """
-    results: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the results for this calculation
-    """
-    tags: Optional[List[str]] = None
-    """
-    entity tags
-    """
-    statusTrack: Optional[List[StatusTrackItem]] = None

package/dist/py/workflow/unit/io/api.py

@@ -1,27 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  workflow/unit/io/api.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Any, Dict, Optional
-
-from pydantic import BaseModel, ConfigDict
-
-
-class DataIORestAPIInputSchema(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    endpoint: str
-    """
-    rest API endpoint
-    """
-    endpoint_options: Dict[str, Any]
-    """
-    rest API endpoint options
-    """
-    name: Optional[str] = None
-    """
-    the name of the variable in local scope to save the data under
-    """

package/dist/py/workflow/unit/io/db.py

@@ -1,39 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  workflow/unit/io/db.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List, Union
-
-from pydantic import BaseModel, ConfigDict, Field, RootModel
-
-
-class DataIODatabaseInputOutputSchema(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    ids: List[str]
-    """
-    IDs of item to retrieve from db
-    """
-
-
-class DataIODatabaseInputOutputSchema1(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    collection: str
-    """
-    db collection name
-    """
-    draft: bool
-    """
-    whether the result should be saved as draft
-    """
-
-
-class ESSE(RootModel[Union[DataIODatabaseInputOutputSchema, DataIODatabaseInputOutputSchema1]]):
-    root: Union[DataIODatabaseInputOutputSchema, DataIODatabaseInputOutputSchema1] = Field(
-        ..., title="data IO database input/output schema"
-    )

package/dist/py/workflow/unit/io/object_storage.py

@@ -1,59 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  workflow/unit/io/object_storage.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Optional
-
-from pydantic import BaseModel, ConfigDict, Field
-
-
-class ObjectStorageContainerData(BaseModel):
-    CONTAINER: Optional[str] = None
-    """
-    Object storage container for the file
-    """
-    NAME: Optional[str] = None
-    """
-    Name of the file inside the object storage bucket
-    """
-    PROVIDER: Optional[str] = None
-    """
-    Object storage provider
-    """
-    REGION: Optional[str] = None
-    """
-    Region for the object container specified in Container
-    """
-    SIZE: Optional[int] = None
-    """
-    Size of the file in bytes
-    """
-    TIMESTAMP: Optional[str] = None
-    """
-    Unix timestamp showing when the file was last modified
-    """
-
-
-class ObjectStorageIoSchema(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    objectData: ObjectStorageContainerData = Field(..., title="Object Storage Container Data")
-    overwrite: Optional[bool] = False
-    """
-    if a file with the same filename already exists, whether to overwrite the old file
-    """
-    pathname: Optional[str] = None
-    """
-    Relative path to the directory that contains the file.
-    """
-    basename: Optional[str] = None
-    """
-    Basename of the file
-    """
-    filetype: Optional[str] = None
-    """
-    What kind of file this is, e.g. image / text
-    """

package/dist/py/workflow/unit/map.py

@@ -1,169 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  workflow/unit/map.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Any, Dict, List, Optional, Union
-
-from pydantic import BaseModel, ConfigDict, Field
-
-
-class Type(Enum):
-    map = "map"
-
-
-class Input(BaseModel):
-    target: str
-    """
-    Name of the target variable to substitute using the values below. e.g. K_POINTS
-    """
-    scope: Optional[str] = None
-    """
-    Scope to retrieve `values` from, global or flowchartId. Optional if `values` is given.
-    """
-    name: Optional[str] = None
-    """
-    Name of the variable inside the scope to retrieve `values` from. Optional if `values` is given.
-    """
-    values: Optional[List[Union[str, float, Dict[str, Any]]]] = None
-    """
-    Sequence of values for the target Jinja variable. Optional if `scope` and `name` are given. This can be used for map-reduce type parallel execution
-    """
-    useValues: Optional[bool] = None
-
-
-class Status(Enum):
-    idle = "idle"
-    active = "active"
-    warning = "warning"
-    error = "error"
-    finished = "finished"
-
-
-class Name(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class Severity(Enum):
-    info = "info"
-    warning = "warning"
-    error = "error"
-
-
-class ConsistencyCheck(BaseModel):
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    name: Name
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class NameResultSchema(BaseModel):
-    name: str
-    """
-    The name of this item. e.g. scf_accuracy
-    """
-
-
-class StatusTrackItem(BaseModel):
-    trackedAt: float
-    status: str
-    repetition: Optional[float] = None
-
-
-class MapUnitSchema(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    type: Type
-    """
-    type of the unit
-    """
-    workflowId: str
-    """
-    Id of workflow to run inside map
-    """
-    input: Input
-    """
-    Input information for map.
-    """
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    isDraft: Optional[bool] = None
-    name: Optional[str] = None
-    """
-    name of the unit. e.g. pw_scf
-    """
-    status: Optional[Status] = None
-    """
-    Status of the unit.
-    """
-    head: Optional[bool] = None
-    """
-    Whether this unit is the first one to be executed.
-    """
-    flowchartId: str
-    """
-    Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
-    """
-    next: Optional[str] = None
-    """
-    Next unit's flowchartId. If empty, the current unit is the last.
-    """
-    enableRender: Optional[bool] = None
-    """
-    Whether Rupy should attempt to use Jinja templating to add context variables into the unit
-    """
-    context: Optional[Dict[str, Any]] = None
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck]] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-    preProcessors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the pre-processors for this calculation
-    """
-    postProcessors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the post-processors for this calculation
-    """
-    monitors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the monitors for this calculation
-    """
-    results: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the results for this calculation
-    """
-    tags: Optional[List[str]] = None
-    """
-    entity tags
-    """
-    statusTrack: Optional[List[StatusTrackItem]] = None

package/dist/py/workflow/unit/processing.py

@@ -1,153 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  workflow/unit/processing.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Any, Dict, List, Optional, Union
-
-from pydantic import BaseModel, ConfigDict, Field
-
-
-class Type(Enum):
-    processing = "processing"
-
-
-class Status(Enum):
-    idle = "idle"
-    active = "active"
-    warning = "warning"
-    error = "error"
-    finished = "finished"
-
-
-class Name(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
-class Severity(Enum):
-    info = "info"
-    warning = "warning"
-    error = "error"
-
-
-class ConsistencyCheck(BaseModel):
-    key: str
-    """
-    Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
-    """
-    name: Name
-    """
-    Name of the consistency check that is performed, which is listed in an enum.
-    """
-    severity: Severity
-    """
-    Severity level of the problem, which is used in UI to differentiate.
-    """
-    message: str
-    """
-    Message generated by the consistency check describing the problem.
-    """
-
-
-class NameResultSchema(BaseModel):
-    name: str
-    """
-    The name of this item. e.g. scf_accuracy
-    """
-
-
-class StatusTrackItem(BaseModel):
-    trackedAt: float
-    status: str
-    repetition: Optional[float] = None
-
-
-class ProcessingUnitSchema(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    type: Type
-    """
-    type of the unit
-    """
-    operation: str
-    """
-    Contains information about the operation used.
-    """
-    operationType: str
-    """
-    Contains information about the specific type of the operation used.
-    """
-    inputData: Any
-    """
-    unit input (type to be specified by the child units)
-    """
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    isDraft: Optional[bool] = None
-    name: Optional[str] = None
-    """
-    name of the unit. e.g. pw_scf
-    """
-    status: Optional[Status] = None
-    """
-    Status of the unit.
-    """
-    head: Optional[bool] = None
-    """
-    Whether this unit is the first one to be executed.
-    """
-    flowchartId: str
-    """
-    Identity of the unit in the workflow. Used to trace the execution flow of the workflow.
-    """
-    next: Optional[str] = None
-    """
-    Next unit's flowchartId. If empty, the current unit is the last.
-    """
-    enableRender: Optional[bool] = None
-    """
-    Whether Rupy should attempt to use Jinja templating to add context variables into the unit
-    """
-    context: Optional[Dict[str, Any]] = None
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck]] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-    preProcessors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the pre-processors for this calculation
-    """
-    postProcessors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the post-processors for this calculation
-    """
-    monitors: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the monitors for this calculation
-    """
-    results: Optional[List[Union[NameResultSchema, str]]] = None
-    """
-    names of the results for this calculation
-    """
-    tags: Optional[List[str]] = None
-    """
-    entity tags
-    """
-    statusTrack: Optional[List[StatusTrackItem]] = None