mat3ra-esse 2024.12.19.post1__py3-none-any.whl → 2025.4.3.post0__py3-none-any.whl

mat3ra/esse/models/workflow/base.py

@@ -1,46 +1,14 @@
 # generated by datamodel-codegen:
 #   filename:  workflow/base.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
-from enum import Enum
 from typing import Any, Dict, List, Optional, Union
 
 from pydantic import BaseModel, Field
 
 
-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 BaseWorkflowSchema(BaseModel):
     properties: Optional[List[Union[str, Dict[str, Any]]]] = None
     """
@@ -63,7 +31,6 @@ class BaseWorkflowSchema(BaseModel):
     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.

mat3ra/esse/models/workflow/base_flow.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  workflow/base_flow.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/workflow/scope.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  workflow/scope.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/workflow/subworkflow/__init__.py

@@ -1,14 +1,13 @@
 # generated by datamodel-codegen:
 #   filename:  workflow/subworkflow.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
 from enum import Enum
-from typing import Any, Dict, List, Optional, Union
+from typing import Any, Dict, List, Literal, Optional, Union
 
 from pydantic import BaseModel, ConfigDict, Field, RootModel, conint
-from typing_extensions import Literal
 
 
 class Type(Enum):
@@ -63,7 +62,7 @@ class DataIODatabaseInputOutputSchema9(BaseModel):
     """
     db collection name
     """
-    draft: bool
+    draft: Optional[bool] = True
     """
     whether the result should be saved as draft
     """
@@ -127,37 +126,6 @@ class Status(Enum):
     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
     """
@@ -223,7 +191,6 @@ class DataIOUnitSchema(BaseModel):
     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.
@@ -270,25 +237,6 @@ class InputItem(BaseModel):
     """
 
 
-class ConsistencyCheck103(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 ReduceUnitSchema(BaseModel):
     model_config = ConfigDict(
         extra="allow",
@@ -340,7 +288,6 @@ class ReduceUnitSchema(BaseModel):
     entity slug
     """
     systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck103]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -387,25 +334,6 @@ class WorkflowUnitInputSchema(BaseModel):
     """
 
 
-class ConsistencyCheck104(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 ConditionUnitSchema(BaseModel):
     model_config = ConfigDict(
         extra="allow",
@@ -473,7 +401,6 @@ class ConditionUnitSchema(BaseModel):
     entity slug
     """
     systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck104]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -509,25 +436,6 @@ class Type82(Enum):
     assertion = "assertion"
 
 
-class ConsistencyCheck105(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 AssertionUnitSchema(BaseModel):
     model_config = ConfigDict(
         extra="allow",
@@ -579,7 +487,6 @@ class AssertionUnitSchema(BaseModel):
     entity slug
     """
     systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck105]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -615,25 +522,6 @@ class Type83(Enum):
     execution = "execution"
 
 
-class ConsistencyCheck106(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 ApplicationSchemaBase(BaseModel):
     model_config = ConfigDict(
         extra="allow",
@@ -671,7 +559,6 @@ class ApplicationSchemaBase(BaseModel):
     entity slug
     """
     systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck106]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -686,25 +573,6 @@ class ApplicationSchemaBase(BaseModel):
     """
 
 
-class ConsistencyCheck107(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 ExecutableSchema(BaseModel):
     name: str
     """
@@ -727,7 +595,6 @@ class ExecutableSchema(BaseModel):
     entity slug
     """
     systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck107]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -766,25 +633,6 @@ class ExecutionUnitInputIdItemSchemaForPhysicsBasedSimulationEngines(BaseModel):
     """
 
 
-class ConsistencyCheck108(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 FlavorSchema(BaseModel):
     executableId: Optional[str] = None
     """
@@ -810,7 +658,6 @@ class FlavorSchema(BaseModel):
     entity slug
     """
     systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck108]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -841,25 +688,6 @@ class FlavorSchema(BaseModel):
     """
 
 
-class ConsistencyCheck109(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 ExecutionUnitSchemaBase(BaseModel):
     model_config = ConfigDict(
         extra="allow",
@@ -880,7 +708,7 @@ class ExecutionUnitSchemaBase(BaseModel):
     entity identity
     """
     isDraft: Optional[bool] = None
-    name: Optional[str] = None
+    name: str
     """
     name of the unit. e.g. pw_scf
     """
@@ -910,7 +738,6 @@ class ExecutionUnitSchemaBase(BaseModel):
     entity slug
     """
     systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck109]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -946,25 +773,6 @@ class Type84(Enum):
     assignment = "assignment"
 
 
-class ConsistencyCheck110(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 AssignmentUnitSchema(BaseModel):
     model_config = ConfigDict(
         extra="allow",
@@ -973,7 +781,7 @@ class AssignmentUnitSchema(BaseModel):
     """
     type of the unit
     """
-    input: Optional[List[WorkflowUnitInputSchema]] = None
+    input: List[WorkflowUnitInputSchema]
     """
     Input information for assignment. if omitted, means that it is an initialization unit, otherwise it is an assignment.
     """
@@ -1020,7 +828,6 @@ class AssignmentUnitSchema(BaseModel):
     entity slug
     """
     systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck110]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -1057,25 +864,6 @@ class Type85(Enum):
     processing = "processing"
 
 
-class ConsistencyCheck111(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 ProcessingUnitSchema(BaseModel):
     model_config = ConfigDict(
         extra="allow",
@@ -1101,7 +889,7 @@ class ProcessingUnitSchema(BaseModel):
     entity identity
     """
     isDraft: Optional[bool] = None
-    name: Optional[str] = None
+    name: str
     """
     name of the unit. e.g. pw_scf
     """
@@ -1131,7 +919,6 @@ class ProcessingUnitSchema(BaseModel):
     entity slug
     """
     systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck111]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -1221,77 +1008,6 @@ class BaseModel1(BaseModel):
     method: BaseMethod = Field(..., title="base method")
 
 
-class ConsistencyCheck112(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 ApplicationSchemaBase15(BaseModel):
-    model_config = ConfigDict(
-        extra="allow",
-    )
-    shortName: Optional[str] = None
-    """
-    The short name of the application. e.g. qe
-    """
-    summary: Optional[str] = None
-    """
-    Application's short description.
-    """
-    version: Optional[str] = None
-    """
-    Application version. e.g. 5.3.5
-    """
-    build: Optional[str] = None
-    """
-    Application build. e.g. VTST
-    """
-    hasAdvancedComputeOptions: Optional[bool] = None
-    """
-    Whether advanced compute options are present
-    """
-    isLicensed: Optional[bool] = None
-    """
-    Whether licensing is present
-    """
-    field_id: Optional[str] = Field(None, alias="_id")
-    """
-    entity identity
-    """
-    slug: Optional[str] = None
-    """
-    entity slug
-    """
-    systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck112]] = None
-    schemaVersion: Optional[str] = "2022.8.16"
-    """
-    entity's schema version. Used to distinct between different schemas.
-    """
-    name: Optional[str] = None
-    """
-    entity name
-    """
-    isDefault: Optional[bool] = False
-    """
-    Identifies that entity is defaultable
-    """
-
-
 class Queue(Enum):
     D = "D"
     OR = "OR"
@@ -1449,7 +1165,7 @@ class Subworkflow(BaseModel):
     Contains the Units of the subworkflow
     """
     model: BaseModel1 = Field(..., title="base model")
-    application: ApplicationSchemaBase15 = Field(..., title="application schema (base)")
+    application: ApplicationSchemaBase = Field(..., title="application schema (base)")
     isDraft: Optional[bool] = False
     """
     Defines whether to store the results/properties extracted in this unit to properties collection