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

mat3ra/esse/models/core/reusable/frequency_function_matrix.py

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

mat3ra/esse/models/core/reusable/object_storage_container_data.py

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

mat3ra/esse/models/definitions/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/definitions/constants.py

@@ -0,0 +1,40 @@
+# generated by datamodel-codegen:
+#   filename:  definitions/constants.json
+#   version:   0.28.5
+
+from __future__ import annotations
+
+from typing import Optional
+
+from pydantic import BaseModel
+
+
+class FundamentalConstants(BaseModel):
+    c: Optional[float] = 299792458
+    """
+    speed of light in vacuum, "units": "m/s"
+    """
+    h: Optional[float] = 6.62607015e-34
+    """
+    Planck constant, "units": "J s"
+    """
+    e: Optional[float] = 1.602176634e-19
+    """
+    elementary charge, "units": "C"
+    """
+    G: Optional[float] = 6.6743015e-11
+    """
+    Newtonian constant of gravitation, "units": "m^3/kg/s^2"
+    """
+    me: Optional[float] = 9.109383713928e-31
+    """
+    electron mass "units": "kg"
+    """
+    eps0: Optional[float] = 8.854187818814e-12
+    """
+    vacuum permittivity, "units": "F/m"
+    """
+    mu0: Optional[float] = 1.256637061272e-06
+    """
+    vacuum permeability, "units": "N/A^2"
+    """

mat3ra/esse/models/definitions/units.py

@@ -1,13 +1,13 @@
 # generated by datamodel-codegen:
 #   filename:  definitions/units.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
 from typing import Any
 
-from pydantic import RootModel
+from pydantic import Field, RootModel
 
 
-class ESSE(RootModel[Any]):
-    root: Any
+class AllUnitsDefinitions(RootModel[Any]):
+    root: Any = Field(..., title="all units definitions")

mat3ra/esse/models/element.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  element.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -17,15 +17,14 @@ class Name(Enum):
 class Units(Enum):
     km = "km"
     m = "m"
-    pm = "pm"
+    cm = "cm"
+    mm = "mm"
+    um = "um"
     nm = "nm"
     angstrom = "angstrom"
     a_u_ = "a.u."
     bohr = "bohr"
-    fractional = "fractional"
-    crystal = "crystal"
-    cartesian = "cartesian"
-    alat = "alat"
+    pm = "pm"
 
 
 class AtomicRadius(BaseModel):
@@ -34,20 +33,20 @@ class AtomicRadius(BaseModel):
     value: float
 
 
-class Name40(Enum):
+class Name24(Enum):
     electronegativity = "electronegativity"
 
 
 class Electronegativity(BaseModel):
-    name: Optional[Name40] = None
+    name: Optional[Name24] = None
     value: float
 
 
-class Name41(Enum):
+class Name25(Enum):
     ionization_potential = "ionization_potential"
 
 
-class Units20(Enum):
+class Units21(Enum):
     kJ_mol = "kJ/mol"
     eV = "eV"
     J_mol = "J/mol"
@@ -58,8 +57,8 @@ class Units20(Enum):
 
 
 class IonizationPotential(BaseModel):
-    name: Optional[Name41] = None
-    units: Optional[Units20] = None
+    name: Optional[Name25] = None
+    units: Optional[Units21] = None
     value: float
 
 

mat3ra/esse/models/in_memory_entity/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/in_memory_entity/base.py

@@ -1,46 +1,14 @@
 # generated by datamodel-codegen:
 #   filename:  in_memory_entity/base.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
-from enum import Enum
-from typing import List, Optional
+from typing import Optional
 
 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 BaseInMemoryEntitySchema(BaseModel):
     field_id: Optional[str] = Field(None, alias="_id")
     """
@@ -51,7 +19,6 @@ class BaseInMemoryEntitySchema(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/in_memory_entity/defaultable.py

@@ -1,46 +1,14 @@
 # generated by datamodel-codegen:
 #   filename:  in_memory_entity/defaultable.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
-from enum import Enum
-from typing import List, Optional
+from typing import Optional
 
 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 DefaultableInMemoryEntitySchema(BaseModel):
     field_id: Optional[str] = Field(None, alias="_id")
     """
@@ -51,7 +19,6 @@ class DefaultableInMemoryEntitySchema(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/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.py

@@ -0,0 +1,61 @@
+# generated by datamodel-codegen:
+#   filename:  in_memory_entity/has_consistency_check_has_metadata_named_defaultable.json
+#   version:   0.28.5
+
+from __future__ import annotations
+
+from enum import Enum
+from typing import Any, Dict, List, Optional
+
+from pydantic import BaseModel, Field
+
+
+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: str
+    """
+    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 HasConsistencyCheckHasMetadataNamedDefaultableInMemoryEntitySchema(BaseModel):
+    field_id: Optional[str] = Field(None, alias="_id")
+    """
+    entity identity
+    """
+    slug: Optional[str] = None
+    """
+    entity slug
+    """
+    systemName: Optional[str] = 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
+    """
+    metadata: Optional[Dict[str, Any]] = None
+    consistencyChecks: Optional[List[ConsistencyCheck]] = None

mat3ra/esse/models/in_memory_entity/named.py

@@ -1,46 +1,14 @@
 # generated by datamodel-codegen:
 #   filename:  in_memory_entity/named.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
-from enum import Enum
-from typing import List, Optional
+from typing import Optional
 
 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 NamedInMemoryEntitySchema(BaseModel):
     field_id: Optional[str] = Field(None, alias="_id")
     """
@@ -51,7 +19,6 @@ class NamedInMemoryEntitySchema(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/in_memory_entity/named_defaultable.py

@@ -1,46 +1,14 @@
 # generated by datamodel-codegen:
 #   filename:  in_memory_entity/named_defaultable.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
-from enum import Enum
-from typing import List, Optional
+from typing import Optional
 
 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 NamedDefaultableInMemoryEntitySchema(BaseModel):
     field_id: Optional[str] = Field(None, alias="_id")
     """
@@ -51,7 +19,6 @@ class NamedDefaultableInMemoryEntitySchema(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/in_memory_entity/named_defaultable_has_metadata.py

@@ -1,46 +1,14 @@
 # generated by datamodel-codegen:
 #   filename:  in_memory_entity/named_defaultable_has_metadata.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
-from enum import Enum
-from typing import Any, Dict, List, Optional
+from typing import Any, Dict, Optional
 
 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 NamedDefaultableHasMetadataInMemoryEntitySchema(BaseModel):
     field_id: Optional[str] = Field(None, alias="_id")
     """
@@ -51,7 +19,6 @@ class NamedDefaultableHasMetadataInMemoryEntitySchema(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/in_memory_entity/named_defaultable_runtime_items.py

@@ -1,46 +1,14 @@
 # generated by datamodel-codegen:
 #   filename:  in_memory_entity/named_defaultable_runtime_items.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
-from enum import Enum
 from typing import 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 NameResultSchema(BaseModel):
     name: str
     """
@@ -58,7 +26,6 @@ class NamedDefaultableRuntimeItemsInMemoryEntitySchema(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.