mat3ra-esse 2024.4.8.post1__py3-none-any.whl → 2024.4.8.post3__py3-none-any.whl

mat3ra/esse/models/methods_category/mathematical/opt/root/enum_options.py

@@ -0,0 +1,13 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/mathematical/opt/root/enum_options.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from typing import Any
+
+from pydantic import RootModel
+
+
+class ESSE(RootModel[Any]):
+    root: Any

mat3ra/esse/models/methods_category/mathematical/opt/root/iter.py

@@ -0,0 +1,56 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/mathematical/opt/root/iter.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from enum import Enum
+from typing import Optional, Union
+
+from pydantic import BaseModel, Field
+
+
+class SlugifiedEntry(BaseModel):
+    name: str
+    """
+    descriptive human-readable name of entry
+    """
+    slug: str
+    """
+    machine-readable identifier
+    """
+
+
+class SlugifiedEntryOrSlug(Enum):
+    iterative = "iterative"
+
+
+class SlugifiedEntryOrSlug117(Enum):
+    root = "root"
+
+
+class SlugifiedEntryOrSlug118(Enum):
+    opt = "opt"
+
+
+class IterativeMethodForRootFindingCategorySchema(BaseModel):
+    tier3: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug117]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug118]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """

mat3ra/esse/models/methods_category/mathematical/regression.py

@@ -0,0 +1,54 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/mathematical/regression.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from enum import Enum
+from typing import Optional, Union
+
+from pydantic import BaseModel, Field
+
+
+class SlugifiedEntry(BaseModel):
+    name: str
+    """
+    descriptive human-readable name of entry
+    """
+    slug: str
+    """
+    machine-readable identifier
+    """
+
+
+class SlugifiedEntryOrSlug(Enum):
+    linear = "linear"
+    kernel_ridge = "kernel_ridge"
+
+
+class SlugifiedEntryOrSlug236(Enum):
+    least_squares = "least_squares"
+    ridge = "ridge"
+
+
+class LinearMethodsCategorySchema(BaseModel):
+    type: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    subtype: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug236]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier1: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier2: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """

mat3ra/esse/models/methods_category/physical/__init__.py

@@ -0,0 +1,3 @@
+# generated by datamodel-codegen:
+#   filename:  schema
+#   version:   0.25.5

mat3ra/esse/models/methods_category/physical/enum_options.py

@@ -0,0 +1,13 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/physical/enum_options.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from typing import Any
+
+from pydantic import RootModel
+
+
+class ESSE(RootModel[Any]):
+    root: Any

mat3ra/esse/models/methods_category/physical/qm/__init__.py

@@ -0,0 +1,48 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/physical/qm.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from enum import Enum
+from typing import Optional, Union
+
+from pydantic import BaseModel, Field
+
+
+class SlugifiedEntry(BaseModel):
+    name: str
+    """
+    descriptive human-readable name of entry
+    """
+    slug: str
+    """
+    machine-readable identifier
+    """
+
+
+class SlugifiedEntryOrSlug(Enum):
+    qm = "qm"
+
+
+class QuantumMechanicalMethodCategorySchema(BaseModel):
+    tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier2: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """

mat3ra/esse/models/methods_category/physical/qm/enum_options.py

@@ -0,0 +1,13 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/physical/qm/enum_options.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from typing import Any
+
+from pydantic import RootModel
+
+
+class ESSE(RootModel[Any]):
+    root: Any

mat3ra/esse/models/methods_category/physical/qm/wf/__init__.py

@@ -0,0 +1,52 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/physical/qm/wf.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from enum import Enum
+from typing import Optional, Union
+
+from pydantic import BaseModel, Field
+
+
+class SlugifiedEntry(BaseModel):
+    name: str
+    """
+    descriptive human-readable name of entry
+    """
+    slug: str
+    """
+    machine-readable identifier
+    """
+
+
+class SlugifiedEntryOrSlug(Enum):
+    wf = "wf"
+
+
+class SlugifiedEntryOrSlug275(Enum):
+    qm = "qm"
+
+
+class MethodsRelatedToWaveFunctionsSchema(BaseModel):
+    tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug275]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    type: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """

mat3ra/esse/models/methods_category/physical/qm/wf/ao/__init__.py

@@ -0,0 +1,62 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/physical/qm/wf/ao.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from enum import Enum
+from typing import Optional, Union
+
+from pydantic import BaseModel, Field
+
+
+class SlugifiedEntry(BaseModel):
+    name: str
+    """
+    descriptive human-readable name of entry
+    """
+    slug: str
+    """
+    machine-readable identifier
+    """
+
+
+class SlugifiedEntryOrSlug(Enum):
+    ao = "ao"
+
+
+class SlugifiedEntryOrSlug6(Enum):
+    pople = "pople"
+    dunning = "dunning"
+    other = "other"
+
+
+class SlugifiedEntryOrSlug7(Enum):
+    wf = "wf"
+
+
+class SlugifiedEntryOrSlug8(Enum):
+    qm = "qm"
+
+
+class ApproximatingTheElectronicWaveFunctionWithAAtomicOrbitalBasisSchema(BaseModel):
+    type: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    subtype: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug6]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug7]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug8]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """

mat3ra/esse/models/methods_category/physical/qm/wf/ao/dunning.py

@@ -0,0 +1,60 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/physical/qm/wf/ao/dunning.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from enum import Enum
+from typing import Optional, Union
+
+from pydantic import BaseModel, Field
+
+
+class SlugifiedEntry(BaseModel):
+    name: str
+    """
+    descriptive human-readable name of entry
+    """
+    slug: str
+    """
+    machine-readable identifier
+    """
+
+
+class SlugifiedEntryOrSlug(Enum):
+    dunning = "dunning"
+
+
+class SlugifiedEntryOrSlug68(Enum):
+    ao = "ao"
+
+
+class SlugifiedEntryOrSlug69(Enum):
+    wf = "wf"
+
+
+class SlugifiedEntryOrSlug70(Enum):
+    qm = "qm"
+
+
+class DunningCorrelationConsistentBasisSetCategorySchema(BaseModel):
+    subtype: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    type: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug68]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug69]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug70]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """

mat3ra/esse/models/methods_category/physical/qm/wf/ao/other.py

@@ -0,0 +1,60 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/physical/qm/wf/ao/other.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from enum import Enum
+from typing import Optional, Union
+
+from pydantic import BaseModel, Field
+
+
+class SlugifiedEntry(BaseModel):
+    name: str
+    """
+    descriptive human-readable name of entry
+    """
+    slug: str
+    """
+    machine-readable identifier
+    """
+
+
+class SlugifiedEntryOrSlug(Enum):
+    other = "other"
+
+
+class SlugifiedEntryOrSlug190(Enum):
+    ao = "ao"
+
+
+class SlugifiedEntryOrSlug191(Enum):
+    wf = "wf"
+
+
+class SlugifiedEntryOrSlug192(Enum):
+    qm = "qm"
+
+
+class OtherNeitherPopleNorDunningBasisSetCategorySchema(BaseModel):
+    subtype: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    type: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug190]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug191]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug192]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """

mat3ra/esse/models/methods_category/physical/qm/wf/ao/pople.py

@@ -0,0 +1,60 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/physical/qm/wf/ao/pople.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from enum import Enum
+from typing import Optional, Union
+
+from pydantic import BaseModel, Field
+
+
+class SlugifiedEntry(BaseModel):
+    name: str
+    """
+    descriptive human-readable name of entry
+    """
+    slug: str
+    """
+    machine-readable identifier
+    """
+
+
+class SlugifiedEntryOrSlug(Enum):
+    pople = "pople"
+
+
+class SlugifiedEntryOrSlug205(Enum):
+    ao = "ao"
+
+
+class SlugifiedEntryOrSlug206(Enum):
+    wf = "wf"
+
+
+class SlugifiedEntryOrSlug207(Enum):
+    qm = "qm"
+
+
+class PopleBasisSetCategorySchema(BaseModel):
+    subtype: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    type: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug205]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug206]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug207]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """

mat3ra/esse/models/methods_category/physical/qm/wf/enum_options.py

@@ -0,0 +1,13 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/physical/qm/wf/enum_options.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from typing import Any
+
+from pydantic import RootModel
+
+
+class ESSE(RootModel[Any]):
+    root: Any

mat3ra/esse/models/methods_category/physical/qm/wf/psp.py

@@ -0,0 +1,63 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/physical/qm/wf/psp.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from enum import Enum
+from typing import Optional, Union
+
+from pydantic import BaseModel, Field
+
+
+class SlugifiedEntry(BaseModel):
+    name: str
+    """
+    descriptive human-readable name of entry
+    """
+    slug: str
+    """
+    machine-readable identifier
+    """
+
+
+class SlugifiedEntryOrSlug(Enum):
+    psp = "psp"
+
+
+class SlugifiedEntryOrSlug213(Enum):
+    us = "us"
+    nc = "nc"
+    paw = "paw"
+    coulomb = "coulomb"
+
+
+class SlugifiedEntryOrSlug214(Enum):
+    wf = "wf"
+
+
+class SlugifiedEntryOrSlug215(Enum):
+    qm = "qm"
+
+
+class PseudopotentialCategorySchema(BaseModel):
+    type: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    subtype: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug213]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug214]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug215]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """

mat3ra/esse/models/methods_category/physical/qm/wf/pw.py

@@ -0,0 +1,56 @@
+# generated by datamodel-codegen:
+#   filename:  methods_category/physical/qm/wf/pw.json
+#   version:   0.25.5
+
+from __future__ import annotations
+
+from enum import Enum
+from typing import Optional, Union
+
+from pydantic import BaseModel, Field
+
+
+class SlugifiedEntry(BaseModel):
+    name: str
+    """
+    descriptive human-readable name of entry
+    """
+    slug: str
+    """
+    machine-readable identifier
+    """
+
+
+class SlugifiedEntryOrSlug(Enum):
+    pw = "pw"
+
+
+class SlugifiedEntryOrSlug220(Enum):
+    wf = "wf"
+
+
+class SlugifiedEntryOrSlug221(Enum):
+    qm = "qm"
+
+
+class PlaneWaveCatgeorySchema(BaseModel):
+    type: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier2: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug220]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier1: Optional[Union[SlugifiedEntry, SlugifiedEntryOrSlug221]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    tier3: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """
+    subtype: Optional[Union[SlugifiedEntry, str]] = Field(None, title="slugified entry or slug")
+    """
+    contains either object with slugified entry or slug only as a string
+    """