mat3ra-esse 2025.8.14.post0__py3-none-any.whl → 2025.8.20.post0__py3-none-any.whl

mat3ra/esse/models/core/reference/__init__.py

@@ -42,7 +42,7 @@ class InfoForCharacteristicObtainedByExabyteCalculation(BaseModel):
     owner: EntityReferenceSchema = Field(..., title="entity reference schema")
 
 
-class Type71(Enum):
+class Type59(Enum):
     experiment = "experiment"
 
 
@@ -83,7 +83,7 @@ class LocationSchema(BaseModel):
     """
 
 
-class Type72(Enum):
+class Type60(Enum):
     literature = "literature"
 
 
@@ -93,7 +93,7 @@ class PagesSchema(BaseModel):
 
 
 class LiteratureReferenceSchema(BaseModel):
-    type: Optional[Type72] = None
+    type: Optional[Type60] = None
     doi: Optional[str] = None
     """
     Digital Object Identifier of the reference.
@@ -153,7 +153,7 @@ class LiteratureReferenceSchema(BaseModel):
 
 
 class InfoForCharacteristicObtainedByExperiment(BaseModel):
-    type: Optional[Type71] = None
+    type: Optional[Type59] = None
     authors: List[ExperimentAuthorSchema]
     """
     experiment authors
@@ -183,7 +183,7 @@ class InfoForCharacteristicObtainedByExperiment(BaseModel):
 
 
 class LiteratureReferenceSchema15(BaseModel):
-    type: Optional[Type72] = None
+    type: Optional[Type60] = None
     doi: Optional[str] = None
     """
     Digital Object Identifier of the reference.

mat3ra/esse/models/core/reference/experiment/__init__.py

@@ -51,7 +51,7 @@ class LocationSchema(BaseModel):
     """
 
 
-class Type23(Enum):
+class Type17(Enum):
     literature = "literature"
 
 
@@ -61,7 +61,7 @@ class PagesSchema(BaseModel):
 
 
 class LiteratureReferenceSchema(BaseModel):
-    type: Optional[Type23] = None
+    type: Optional[Type17] = None
     doi: Optional[str] = None
     """
     Digital Object Identifier of the reference.

mat3ra/esse/models/job/__init__.py

@@ -222,7 +222,7 @@ class DataIOUnitSchema(BaseModel):
     statusTrack: Optional[List[StatusTrackItem]] = None
 
 
-class Type35(Enum):
+class Type26(Enum):
     reduce = "reduce"
 
 
@@ -319,7 +319,7 @@ class ReduceUnitSchema(BaseModel):
     statusTrack: Optional[List[StatusTrackItem]] = None
 
 
-class Type36(Enum):
+class Type27(Enum):
     condition = "condition"
 
 
@@ -432,7 +432,7 @@ class ConditionUnitSchema(BaseModel):
     statusTrack: Optional[List[StatusTrackItem]] = None
 
 
-class Type37(Enum):
+class Type28(Enum):
     assertion = "assertion"
 
 
@@ -518,7 +518,7 @@ class AssertionUnitSchema(BaseModel):
     statusTrack: Optional[List[StatusTrackItem]] = None
 
 
-class Type38(Enum):
+class Type29(Enum):
     execution = "execution"
 
 
@@ -773,7 +773,7 @@ class ExecutionUnitSchemaBase(BaseModel):
     statusTrack: Optional[List[StatusTrackItem]] = None
 
 
-class Type39(Enum):
+class Type30(Enum):
     assignment = "assignment"
 
 
@@ -864,7 +864,7 @@ class AssignmentUnitSchema(BaseModel):
     scope: Optional[str] = None
 
 
-class Type40(Enum):
+class Type31(Enum):
     processing = "processing"
 
 
@@ -1192,7 +1192,7 @@ class Subworkflow(BaseModel):
     """
 
 
-class Type41(Enum):
+class Type32(Enum):
     io = "io"
 
 
@@ -1326,7 +1326,7 @@ class DataIOUnitSchema2(BaseModel):
     statusTrack: Optional[List[StatusTrackItem]] = None
 
 
-class Type42(Enum):
+class Type33(Enum):
     reduce = "reduce"
 
 
@@ -1412,7 +1412,7 @@ class ReduceUnitSchema1(BaseModel):
     statusTrack: Optional[List[StatusTrackItem]] = None
 
 
-class Type43(Enum):
+class Type34(Enum):
     condition = "condition"
 
 
@@ -1514,7 +1514,7 @@ class ConditionUnitSchema2(BaseModel):
     statusTrack: Optional[List[StatusTrackItem]] = None
 
 
-class Type44(Enum):
+class Type35(Enum):
     assertion = "assertion"
 
 
@@ -1600,11 +1600,11 @@ class AssertionUnitSchema2(BaseModel):
     statusTrack: Optional[List[StatusTrackItem]] = None
 
 
-class Type45(Enum):
+class Type36(Enum):
     execution = "execution"
 
 
-class ExecutableSchema11(BaseModel):
+class ExecutableSchema5(BaseModel):
     name: str
     """
     The name of the executable. e.g. pw.x
@@ -1652,7 +1652,7 @@ class ExecutableSchema11(BaseModel):
     """
 
 
-class FlavorSchema11(BaseModel):
+class FlavorSchema5(BaseModel):
     executableId: Optional[str] = None
     """
     _id of the executable this flavor belongs to
@@ -1720,8 +1720,8 @@ class ExecutionUnitSchemaBase2(BaseModel):
     type of the unit
     """
     application: ApplicationSchemaBase = Field(..., title="application schema (base)")
-    executable: Optional[ExecutableSchema11] = Field(None, title="executable schema")
-    flavor: Optional[FlavorSchema11] = Field(None, title="flavor schema")
+    executable: Optional[ExecutableSchema5] = Field(None, title="executable schema")
+    flavor: Optional[FlavorSchema5] = Field(None, title="flavor schema")
     input: Any
     """
     unit input (type to be specified by the application's execution unit)
@@ -1792,7 +1792,7 @@ class ExecutionUnitSchemaBase2(BaseModel):
     statusTrack: Optional[List[StatusTrackItem]] = None
 
 
-class Type46(Enum):
+class Type37(Enum):
     assignment = "assignment"
 
 
@@ -1883,7 +1883,7 @@ class AssignmentUnitSchema2(BaseModel):
     scope: Optional[str] = None
 
 
-class Type47(Enum):
+class Type38(Enum):
     processing = "processing"
 
 
@@ -1973,7 +1973,7 @@ class ProcessingUnitSchema1(BaseModel):
     statusTrack: Optional[List[StatusTrackItem]] = None
 
 
-class Type48(Enum):
+class Type39(Enum):
     map = "map"
 
 
@@ -2079,7 +2079,7 @@ class MapUnitSchema(BaseModel):
     statusTrack: Optional[List[StatusTrackItem]] = None
 
 
-class Type49(Enum):
+class Type40(Enum):
     subworkflow = "subworkflow"
 
 
@@ -2230,7 +2230,7 @@ class WorkflowSchema(BaseModel):
     metadata: Optional[Dict[str, Any]] = None
 
 
-class Status34(Enum):
+class Status25(Enum):
     pre_submission = "pre-submission"
     queued = "queued"
     submitted = "submitted"
@@ -2348,7 +2348,7 @@ class JobSchema(BaseModel):
     """
     Identity used to track jobs originated from command-line
     """
-    status: Status34
+    status: Status25
     """
     job status
     """

mat3ra/esse/models/material/__init__.py

@@ -285,7 +285,7 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name509(Enum):
+class Name508(Enum):
     density = "density"
 
 
@@ -308,7 +308,7 @@ class ScalarSchema(BaseModel):
     value: float
 
 
-class Name510(Enum):
+class Name509(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name511(Enum):
+class Name510(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name512(Enum):
+class Name511(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name513(Enum):
+class Name512(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name514(Enum):
+class Name513(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name515(Enum):
+class Name514(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name515
+    name: Name514
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.py

@@ -285,7 +285,7 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name488(Enum):
+class Name487(Enum):
     density = "density"
 
 
@@ -308,7 +308,7 @@ class ScalarSchema(BaseModel):
     value: float
 
 
-class Name489(Enum):
+class Name488(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name490(Enum):
+class Name489(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name491(Enum):
+class Name490(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name492(Enum):
+class Name491(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name493(Enum):
+class Name492(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name494(Enum):
+class Name493(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name494
+    name: Name493
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """
@@ -732,7 +732,7 @@ class LatticeSchema57(BaseModel):
     )
 
 
-class Name495(Enum):
+class Name494(Enum):
     volume = "volume"
 
 
@@ -746,7 +746,7 @@ class VolumeSchema58(BaseModel):
     value: float
 
 
-class Name496(Enum):
+class Name495(Enum):
     density = "density"
 
 
@@ -769,7 +769,7 @@ class ScalarSchema59(BaseModel):
     value: float
 
 
-class Name497(Enum):
+class Name496(Enum):
     symmetry = "symmetry"
 
 
@@ -789,7 +789,7 @@ class SymmetrySchema58(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name498(Enum):
+class Name497(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -802,7 +802,7 @@ class ElementalRatio59(BaseModel):
     """
 
 
-class Name499(Enum):
+class Name498(Enum):
     p_norm = "p-norm"
 
 
@@ -815,7 +815,7 @@ class PNorm58(BaseModel):
     value: float
 
 
-class Name500(Enum):
+class Name499(Enum):
     inchi = "inchi"
 
 
@@ -824,7 +824,7 @@ class InChIRepresentationSchema59(BaseModel):
     value: str
 
 
-class Name501(Enum):
+class Name500(Enum):
     inchi_key = "inchi_key"
 
 
@@ -857,14 +857,14 @@ class DerivedPropertiesSchema59(
     ] = Field(..., discriminator="name")
 
 
-class Name502(Enum):
+class Name501(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
 
 
 class MaterialConsistencyCheckSchema58(BaseModel):
-    name: Name502
+    name: Name501
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.py

@@ -285,7 +285,7 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name663(Enum):
+class Name662(Enum):
     density = "density"
 
 
@@ -308,7 +308,7 @@ class ScalarSchema(BaseModel):
     value: float
 
 
-class Name664(Enum):
+class Name663(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name665(Enum):
+class Name664(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name666(Enum):
+class Name665(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name667(Enum):
+class Name666(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name668(Enum):
+class Name667(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name669(Enum):
+class Name668(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name669
+    name: Name668
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """
@@ -732,7 +732,7 @@ class LatticeSchema77(BaseModel):
     )
 
 
-class Name670(Enum):
+class Name669(Enum):
     volume = "volume"
 
 
@@ -746,7 +746,7 @@ class VolumeSchema77(BaseModel):
     value: float
 
 
-class Name671(Enum):
+class Name670(Enum):
     density = "density"
 
 
@@ -769,7 +769,7 @@ class ScalarSchema79(BaseModel):
     value: float
 
 
-class Name672(Enum):
+class Name671(Enum):
     symmetry = "symmetry"
 
 
@@ -789,7 +789,7 @@ class SymmetrySchema77(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name673(Enum):
+class Name672(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -802,7 +802,7 @@ class ElementalRatio78(BaseModel):
     """
 
 
-class Name674(Enum):
+class Name673(Enum):
     p_norm = "p-norm"
 
 
@@ -815,7 +815,7 @@ class PNorm78(BaseModel):
     value: float
 
 
-class Name675(Enum):
+class Name674(Enum):
     inchi = "inchi"
 
 
@@ -824,7 +824,7 @@ class InChIRepresentationSchema78(BaseModel):
     value: str
 
 
-class Name676(Enum):
+class Name675(Enum):
     inchi_key = "inchi_key"
 
 
@@ -857,14 +857,14 @@ class DerivedPropertiesSchema78(
     ] = Field(..., discriminator="name")
 
 
-class Name677(Enum):
+class Name676(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
 
 
 class MaterialConsistencyCheckSchema77(BaseModel):
-    name: Name677
+    name: Name676
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.py

@@ -285,7 +285,7 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name705(Enum):
+class Name704(Enum):
     density = "density"
 
 
@@ -308,7 +308,7 @@ class ScalarSchema(BaseModel):
     value: float
 
 
-class Name706(Enum):
+class Name705(Enum):
     symmetry = "symmetry"
 
 
@@ -328,7 +328,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name707(Enum):
+class Name706(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -341,7 +341,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name708(Enum):
+class Name707(Enum):
     p_norm = "p-norm"
 
 
@@ -354,7 +354,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name709(Enum):
+class Name708(Enum):
     inchi = "inchi"
 
 
@@ -363,7 +363,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name710(Enum):
+class Name709(Enum):
     inchi_key = "inchi_key"
 
 
@@ -442,7 +442,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name711(Enum):
+class Name710(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -455,7 +455,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name711
+    name: Name710
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """