@mat3ra/esse 2024.4.8-1 → 2024.4.8-2

package/dist/py/properties_directory/workflow/convergence/kpoint.py

@@ -1,43 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  properties_directory/workflow/convergence/kpoint.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Any, Dict, List, Optional
-
-from pydantic import BaseModel
-
-
-class Datum(BaseModel):
-    value: Any
-    """
-    value of the property at this step
-    """
-    grid: Dict[str, Any]
-    """
-    information about the kpoint grid
-    """
-    spacing: Optional[float] = None
-    """
-    optional kpoint spacing information
-    """
-
-
-class ConvergenceSchemaForConvergingAPropertyWrtKpoints(BaseModel):
-    tolerance: Any
-    """
-    tolerance for the property under investigation
-    """
-    units: str
-    """
-    units for the property under investigation
-    """
-    property: Optional[str] = None
-    """
-    name of the property under investigation
-    """
-    data: List[Datum]
-    """
-    kpoint grid and property information
-    """

package/dist/py/property/__init__.py

@@ -1,3 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  schema
-#   version:   0.25.5

package/dist/py/property/base/The_source_of_a_property/__init__.py

@@ -1,5 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  schema
-#   version:   0.25.5
-
-from __future__ import annotations

package/dist/py/property/base/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py

@@ -1,38 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  property/base.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Optional, Union
-
-from pydantic import BaseModel
-
-from .. import InfoForCharacteristicObtainedByExperiment
-
-
-class Info(BaseModel):
-    materialId: Optional[str] = None
-    """
-    Material's identity. Used for protoProperties.
-    """
-    jobId: Optional[str] = None
-    """
-    Job's identity
-    """
-    unitId: Optional[str] = None
-    """
-    Id of the unit that extracted the result
-    """
-
-
-class Field(BaseModel):
-    type: Optional[str] = None
-    """
-    Type of the material property's source.
-    """
-    url: Optional[str] = None
-    """
-    Internet address of the reference.
-    """
-    info: Optional[Union[Info, InfoForCharacteristicObtainedByExperiment]] = None

package/dist/py/property/base/__init__.py

@@ -1,232 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  property/base.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Any, Dict, List, Optional
-
-from pydantic import BaseModel, Field
-
-from ..The_source_of_a_property import (
-    field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc,
-)
-
-
-class Type(Enum):
-    experiment = "experiment"
-
-
-class ExperimentAuthorSchema(BaseModel):
-    first: str
-    middle: Optional[str] = None
-    last: str
-    affiliation: Optional[str] = None
-
-
-class ScalarItem(BaseModel):
-    value: Optional[str] = None
-
-
-class ConditionSchema(BaseModel):
-    units: Optional[str] = None
-    """
-    condition unit
-    """
-    scalar: Optional[List[ScalarItem]] = None
-    """
-    array of condition values
-    """
-    name: str
-    """
-    human-readable name of the condition
-    """
-
-
-class LocationSchema(BaseModel):
-    latitude: float
-    """
-    location latitude
-    """
-    longitude: float
-    """
-    location longitude
-    """
-
-
-class Type5(Enum):
-    literature = "literature"
-
-
-class PagesSchema(BaseModel):
-    start: str
-    end: Optional[str] = None
-
-
-class LiteratureReferenceSchema(BaseModel):
-    type: Optional[Type5] = None
-    doi: Optional[str] = None
-    """
-    Digital Object Identifier of the reference.
-    """
-    isbn: Optional[str] = None
-    """
-    International Standard Book Number of the reference.
-    """
-    issn: Optional[str] = None
-    """
-    International Standard Serial Number of the reference.
-    """
-    url: Optional[str] = None
-    """
-    Internet address of the reference.
-    """
-    title: Optional[str] = None
-    """
-    Title of the work.
-    """
-    publisher: Optional[str] = None
-    """
-    Publisher of the work.
-    """
-    journal: Optional[str] = None
-    """
-    Journal in which the work appeared.
-    """
-    volume: Optional[str] = None
-    """
-    Volume of the series in which the work appeared.
-    """
-    year: Optional[str] = None
-    """
-    Year in which the reference was published.
-    """
-    issue: Optional[str] = None
-    """
-    Issue of the collection in which the work appeared.
-    """
-    pages: Optional[PagesSchema] = Field(None, title="pages schema")
-    """
-    Start and end pages of the work.
-    """
-    authors: Optional[List[ExperimentAuthorSchema]] = None
-    """
-    List of authors of the work.
-    """
-    editors: Optional[List[ExperimentAuthorSchema]] = None
-    """
-    List of editors of the work.
-    """
-    reference: Optional[List[Dict[str, Any]]] = None
-    """
-    References cited by the work. Reference objects can nest as deeply as needed. This is useful, for example, when tracking the history of a value referenced in a scholarly article; the top level reference would contain information about where the data was accessed while the nested reference would contain information about where it was originally published.
-    """
-
-
-class InfoForCharacteristicObtainedByExperiment(BaseModel):
-    type: Optional[Type] = None
-    authors: List[ExperimentAuthorSchema]
-    """
-    experiment authors
-    """
-    title: str
-    """
-    experiment title
-    """
-    method: str
-    """
-    method used in experiment
-    """
-    conditions: List[ConditionSchema]
-    location: Optional[LocationSchema] = Field(None, title="location schema")
-    timestamp: float
-    """
-    epoch time.
-    """
-    note: Optional[str] = None
-    """
-    Note about experiment
-    """
-    references: Optional[List[LiteratureReferenceSchema]] = None
-    """
-    references to literature articles
-    """
-
-
-class SystemTag(Enum):
-    isRefined = "isRefined"
-    isBest = "isBest"
-
-
-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 SchemaOfBaseMaterialSPreliminaryProperty(BaseModel):
-    slug: Optional[str] = None
-    """
-    property slug, e.g. total_energy
-    """
-    group: Optional[str] = None
-    """
-    property group, e.g. qe:dft:gga:pbe
-    """
-    data: Dict[str, Any]
-    """
-    container of the information, specific to each property
-    """
-    source: field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.Field = Field(
-        ...,
-        title="The source of a property. This could be an article, a simulation on Exabyte, an external simulation, etc.",
-    )
-    exabyteId: Optional[List[str]] = None
-    """
-    Id of the corresponding item in the entity bank that this property is obtained for
-    """
-    precision: Optional[Dict[str, Any]] = None
-    count: Optional[float] = None
-    """
-    total number of properties among which this property is the best.
-    """
-    systemTags: Optional[List[SystemTag]] = None
-    """
-    property system tags, marks property system characteristics, values refined or best (could be both)
-    """
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    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.
-    """

package/dist/py/property/meta/The_source_of_a_property/__init__.py

@@ -1,5 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  schema
-#   version:   0.25.5
-
-from __future__ import annotations

package/dist/py/property/meta/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py

@@ -1,38 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  property/meta.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Optional, Union
-
-from pydantic import BaseModel
-
-from .. import InfoForCharacteristicObtainedByExperiment
-
-
-class Info(BaseModel):
-    materialId: Optional[str] = None
-    """
-    Material's identity. Used for protoProperties.
-    """
-    jobId: Optional[str] = None
-    """
-    Job's identity
-    """
-    unitId: Optional[str] = None
-    """
-    Id of the unit that extracted the result
-    """
-
-
-class Field(BaseModel):
-    type: Optional[str] = None
-    """
-    Type of the material property's source.
-    """
-    url: Optional[str] = None
-    """
-    Internet address of the reference.
-    """
-    info: Optional[Union[Info, InfoForCharacteristicObtainedByExperiment]] = None

package/dist/py/property/meta/__init__.py

@@ -1,232 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  property/meta.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from enum import Enum
-from typing import Any, Dict, List, Optional
-
-from pydantic import BaseModel, Field
-
-from ..The_source_of_a_property import (
-    field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc,
-)
-
-
-class Type(Enum):
-    experiment = "experiment"
-
-
-class ExperimentAuthorSchema(BaseModel):
-    first: str
-    middle: Optional[str] = None
-    last: str
-    affiliation: Optional[str] = None
-
-
-class ScalarItem(BaseModel):
-    value: Optional[str] = None
-
-
-class ConditionSchema(BaseModel):
-    units: Optional[str] = None
-    """
-    condition unit
-    """
-    scalar: Optional[List[ScalarItem]] = None
-    """
-    array of condition values
-    """
-    name: str
-    """
-    human-readable name of the condition
-    """
-
-
-class LocationSchema(BaseModel):
-    latitude: float
-    """
-    location latitude
-    """
-    longitude: float
-    """
-    location longitude
-    """
-
-
-class Type56(Enum):
-    literature = "literature"
-
-
-class PagesSchema(BaseModel):
-    start: str
-    end: Optional[str] = None
-
-
-class LiteratureReferenceSchema(BaseModel):
-    type: Optional[Type56] = None
-    doi: Optional[str] = None
-    """
-    Digital Object Identifier of the reference.
-    """
-    isbn: Optional[str] = None
-    """
-    International Standard Book Number of the reference.
-    """
-    issn: Optional[str] = None
-    """
-    International Standard Serial Number of the reference.
-    """
-    url: Optional[str] = None
-    """
-    Internet address of the reference.
-    """
-    title: Optional[str] = None
-    """
-    Title of the work.
-    """
-    publisher: Optional[str] = None
-    """
-    Publisher of the work.
-    """
-    journal: Optional[str] = None
-    """
-    Journal in which the work appeared.
-    """
-    volume: Optional[str] = None
-    """
-    Volume of the series in which the work appeared.
-    """
-    year: Optional[str] = None
-    """
-    Year in which the reference was published.
-    """
-    issue: Optional[str] = None
-    """
-    Issue of the collection in which the work appeared.
-    """
-    pages: Optional[PagesSchema] = Field(None, title="pages schema")
-    """
-    Start and end pages of the work.
-    """
-    authors: Optional[List[ExperimentAuthorSchema]] = None
-    """
-    List of authors of the work.
-    """
-    editors: Optional[List[ExperimentAuthorSchema]] = None
-    """
-    List of editors of the work.
-    """
-    reference: Optional[List[Dict[str, Any]]] = None
-    """
-    References cited by the work. Reference objects can nest as deeply as needed. This is useful, for example, when tracking the history of a value referenced in a scholarly article; the top level reference would contain information about where the data was accessed while the nested reference would contain information about where it was originally published.
-    """
-
-
-class InfoForCharacteristicObtainedByExperiment(BaseModel):
-    type: Optional[Type] = None
-    authors: List[ExperimentAuthorSchema]
-    """
-    experiment authors
-    """
-    title: str
-    """
-    experiment title
-    """
-    method: str
-    """
-    method used in experiment
-    """
-    conditions: List[ConditionSchema]
-    location: Optional[LocationSchema] = Field(None, title="location schema")
-    timestamp: float
-    """
-    epoch time.
-    """
-    note: Optional[str] = None
-    """
-    Note about experiment
-    """
-    references: Optional[List[LiteratureReferenceSchema]] = None
-    """
-    references to literature articles
-    """
-
-
-class SystemTag(Enum):
-    isRefined = "isRefined"
-    isBest = "isBest"
-
-
-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 SchemaOfMaterialSMetaProperties(BaseModel):
-    slug: Optional[str] = None
-    """
-    property slug, e.g. total_energy
-    """
-    group: Optional[str] = None
-    """
-    property group, e.g. qe:dft:gga:pbe
-    """
-    data: Dict[str, Any]
-    """
-    container of the information, specific to each property
-    """
-    source: field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.Field = Field(
-        ...,
-        title="The source of a property. This could be an article, a simulation on Exabyte, an external simulation, etc.",
-    )
-    exabyteId: Optional[List[str]] = None
-    """
-    Id of the corresponding item in the entity bank that this property is obtained for
-    """
-    precision: Optional[Dict[str, Any]] = None
-    count: Optional[float] = None
-    """
-    total number of properties among which this property is the best.
-    """
-    systemTags: Optional[List[SystemTag]] = None
-    """
-    property system tags, marks property system characteristics, values refined or best (could be both)
-    """
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    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.
-    """

package/dist/py/property/raw/The_source_of_a_property/__init__.py

@@ -1,5 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  schema
-#   version:   0.25.5
-
-from __future__ import annotations

package/dist/py/property/raw/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py

@@ -1,38 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  property/raw.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Optional, Union
-
-from pydantic import BaseModel
-
-from .. import InfoForCharacteristicObtainedByExperiment
-
-
-class Info(BaseModel):
-    materialId: Optional[str] = None
-    """
-    Material's identity. Used for protoProperties.
-    """
-    jobId: Optional[str] = None
-    """
-    Job's identity
-    """
-    unitId: Optional[str] = None
-    """
-    Id of the unit that extracted the result
-    """
-
-
-class Field(BaseModel):
-    type: Optional[str] = None
-    """
-    Type of the material property's source.
-    """
-    url: Optional[str] = None
-    """
-    Internet address of the reference.
-    """
-    info: Optional[Union[Info, InfoForCharacteristicObtainedByExperiment]] = None