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

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

@@ -1,14 +1,13 @@
 # generated by datamodel-codegen:
 #   filename:  workflow/unit.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
-from typing_extensions import Literal
 
 
 class Type(Enum):
@@ -63,7 +62,7 @@ class DataIODatabaseInputOutputSchema11(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 ConsistencyCheck120(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[ConsistencyCheck120]] = 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 ConsistencyCheck121(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[ConsistencyCheck121]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -509,25 +436,6 @@ class Type91(Enum):
     assertion = "assertion"
 
 
-class ConsistencyCheck122(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[ConsistencyCheck122]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -615,25 +522,6 @@ class Type92(Enum):
     execution = "execution"
 
 
-class ConsistencyCheck123(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[ConsistencyCheck123]] = 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 ConsistencyCheck124(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[ConsistencyCheck124]] = 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 ConsistencyCheck125(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[ConsistencyCheck125]] = 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 ConsistencyCheck126(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[ConsistencyCheck126]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -946,25 +773,6 @@ class Type93(Enum):
     assignment = "assignment"
 
 
-class ConsistencyCheck127(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[ConsistencyCheck127]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -1057,25 +864,6 @@ class Type94(Enum):
     processing = "processing"
 
 
-class ConsistencyCheck128(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[ConsistencyCheck128]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -1187,25 +974,6 @@ class Input(BaseModel):
     useValues: Optional[bool] = None
 
 
-class ConsistencyCheck129(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 MapUnitSchema(BaseModel):
     model_config = ConfigDict(
         extra="allow",
@@ -1227,7 +995,7 @@ class MapUnitSchema(BaseModel):
     entity identity
     """
     isDraft: Optional[bool] = None
-    name: Optional[str] = None
+    name: str
     """
     name of the unit. e.g. pw_scf
     """
@@ -1257,7 +1025,6 @@ class MapUnitSchema(BaseModel):
     entity slug
     """
     systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck129]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.
@@ -1293,25 +1060,6 @@ class Type96(Enum):
     subworkflow = "subworkflow"
 
 
-class ConsistencyCheck130(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 SubworkflowUnitSchema(BaseModel):
     model_config = ConfigDict(
         extra="allow",
@@ -1325,7 +1073,7 @@ class SubworkflowUnitSchema(BaseModel):
     entity identity
     """
     isDraft: Optional[bool] = None
-    name: Optional[str] = None
+    name: str
     """
     name of the unit. e.g. pw_scf
     """
@@ -1355,7 +1103,6 @@ class SubworkflowUnitSchema(BaseModel):
     entity slug
     """
     systemName: Optional[str] = None
-    consistencyChecks: Optional[List[ConsistencyCheck130]] = None
     schemaVersion: Optional[str] = "2022.8.16"
     """
     entity's schema version. Used to distinct between different schemas.

mat3ra/esse/models/workflow/unit/assertion.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  workflow/unit/assertion.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -22,37 +22,6 @@ 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
     """
@@ -117,7 +86,6 @@ class AssertionUnitSchema(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/unit/assignment.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  workflow/unit/assignment.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -33,37 +33,6 @@ 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
     """
@@ -132,7 +101,6 @@ class AssignmentUnitSchema(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/unit/base.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  workflow/unit/base.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -18,37 +18,6 @@ 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
     """
@@ -105,7 +74,6 @@ class WorkflowBaseUnitSchema(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/unit/condition.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  workflow/unit/condition.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -33,37 +33,6 @@ 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
     """
@@ -144,7 +113,6 @@ class ConditionUnitSchema(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.