mat3ra-esse 2024.4.8.post1__py3-none-any.whl → 2024.4.8.post2__py3-none-any.whl

mat3ra/esse/models/system/soft_removable.py

@@ -0,0 +1,20 @@
+# generated by datamodel-codegen:
+#   filename:  system/soft_removable.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from typing import Optional
+
+from pydantic import BaseModel
+
+
+class SoftRemovableEntitySchema(BaseModel):
+    removedAt: Optional[str] = None
+    """
+    Timestamp of the moment when entity was removed
+    """
+    removed: Optional[bool] = None
+    """
+    Identifies that entity was removed
+    """

mat3ra/esse/models/system/status.py

@@ -0,0 +1,20 @@
+# generated by datamodel-codegen:
+#   filename:  system/status.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from typing import List, Optional
+
+from pydantic import BaseModel
+
+
+class StatusTrackItem(BaseModel):
+    trackedAt: float
+    status: str
+    repetition: Optional[float] = None
+
+
+class StatusSchema(BaseModel):
+    status: Optional[str] = None
+    statusTrack: Optional[List[StatusTrackItem]] = None

mat3ra/esse/models/system/tags.py

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+# generated by datamodel-codegen:
+#   filename:  system/tags.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from typing import List, Optional
+
+from pydantic import BaseModel
+
+
+class EntityTagsSchema(BaseModel):
+    tags: Optional[List[str]] = None
+    """
+    entity tags
+    """

mat3ra/esse/models/system/timestampable.py

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+# generated by datamodel-codegen:
+#   filename:  system/timestampable.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from typing import Optional
+
+from pydantic import AwareDatetime, BaseModel
+
+
+class TimestampableEntitySchema(BaseModel):
+    createdAt: Optional[AwareDatetime] = None
+    """
+    entity creation time
+    """
+    updatedAt: Optional[AwareDatetime] = None
+    """
+    entity last modification time
+    """
+    createdBy: Optional[str] = None
+    updatedBy: Optional[str] = None

mat3ra/esse/models/system/use_values.py

@@ -0,0 +1,13 @@
+# generated by datamodel-codegen:
+#   filename:  system/use_values.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from typing import Optional
+
+from pydantic import BaseModel
+
+
+class UseValuesSchema(BaseModel):
+    useValues: Optional[bool] = None

mat3ra/esse/models/third_party/db/nist_jarvis/2024.3.13/__init__.py

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+# generated by datamodel-codegen:
+#   filename:  schema
+#   version:   0.25.5

mat3ra/esse/models/third_party/db/nist_jarvis/2024.3.13/atoms.py

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+# generated by datamodel-codegen:
+#   filename:  3pse/db/nist_jarvis/2024.3.13/atoms.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from typing import Any, List, Optional
+
+from pydantic import BaseModel, ConfigDict, Field, RootModel
+
+
+class ArrayOf3NumberElementsSchema(RootModel[List[Any]]):
+    root: List[Any] = Field(..., title="array of 3 number elements schema")
+
+
+class NISTJARVISAtomsSchema(BaseModel):
+    model_config = ConfigDict(
+        extra="forbid",
+    )
+    lattice_mat: Optional[List[ArrayOf3NumberElementsSchema]] = Field(None, max_length=3, min_length=3)
+    """
+    Crystal lattice vectors as a 3x3 matrix, in Angstroms
+    """
+    coords: Optional[List[ArrayOf3NumberElementsSchema]] = Field(None, min_length=1)
+    """
+    Atomic coordinates for each atom in the unit cell
+    """
+    elements: Optional[List[str]] = Field(None, min_length=1)
+    """
+    Atomic elements for each atom in the unit cell in the same order as `coords`
+    """
+    abc: Optional[List[float]] = Field(None, max_length=3, min_length=3, title="array of 3 number elements schema")
+    angles: Optional[List[float]] = Field(None, max_length=3, min_length=3, title="array of 3 number elements schema")
+    cartesian: Optional[bool] = None
+    """
+    True if the coordinates are in Cartesian space, false if in fractional space
+    """
+    props: Optional[List[str]] = None
+    """
+    Additional properties for each of the atoms
+    """

mat3ra/esse/models/third_party/db/nist_jarvis/2024.3.13/db_entry.py

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+# generated by datamodel-codegen:
+#   filename:  3pse/db/nist_jarvis/2024.3.13/db_entry.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from typing import Any, List, Optional
+
+from pydantic import BaseModel, ConfigDict, Field, RootModel
+
+
+class ArrayOf3NumberElementsSchema(RootModel[List[Any]]):
+    root: List[Any] = Field(..., title="array of 3 number elements schema")
+
+
+class NISTJARVISAtomsSchema(BaseModel):
+    model_config = ConfigDict(
+        extra="forbid",
+    )
+    lattice_mat: Optional[List[ArrayOf3NumberElementsSchema]] = Field(None, max_length=3, min_length=3)
+    """
+    Crystal lattice vectors as a 3x3 matrix, in Angstroms
+    """
+    coords: Optional[List[ArrayOf3NumberElementsSchema]] = Field(None, min_length=1)
+    """
+    Atomic coordinates for each atom in the unit cell
+    """
+    elements: Optional[List[str]] = Field(None, min_length=1)
+    """
+    Atomic elements for each atom in the unit cell in the same order as `coords`
+    """
+    abc: Optional[List[float]] = Field(None, max_length=3, min_length=3, title="array of 3 number elements schema")
+    angles: Optional[List[float]] = Field(None, max_length=3, min_length=3, title="array of 3 number elements schema")
+    cartesian: Optional[bool] = None
+    """
+    True if the coordinates are in Cartesian space, false if in fractional space
+    """
+    props: Optional[List[str]] = None
+    """
+    Additional properties for each of the atoms
+    """
+
+
+class NISTJARVISAtomsSchema1(BaseModel):
+    model_config = ConfigDict(
+        extra="allow",
+    )
+    atoms: Optional[NISTJARVISAtomsSchema] = Field(None, title="NIST JARVIS Atoms schema")
+    """
+    NIST J.A.R.V.I.S. db entry `atoms` key schema. Based on https://figshare.com/articles/dataset/Monolayer_data_for_heterostructure/22344571
+    """
+    jid: Optional[str] = None
+    """
+    The id of the entry in the database, e.g. JVASP-677
+    """

mat3ra/esse/models/third_party/file/applications/espresso/7.2/__init__.py

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+# generated by datamodel-codegen:
+#   filename:  schema
+#   version:   0.25.5