@mat3ra/esse 2024.4.8-0 → 2024.4.8-2

package/.pre-commit-config.yaml

@@ -3,9 +3,9 @@ repos:
     rev: 2023.6.13
     hooks:
       - id: ruff
-        exclude: ^src/py/mat3ra/esse/data|^dist*
+        exclude: ^src/py/mat3ra/esse/data|^src/py/mat3ra/esse/models
       - id: black
-        exclude: ^src/py/mat3ra/esse/data|^dist*
+        exclude: ^src/py/mat3ra/esse/data|^src/py/mat3ra/esse/models
   - repo: local
     hooks:
       # Note: only python 3.8.12 is tested for the model generation
@@ -13,7 +13,7 @@ repos:
         name: Regenerate data modules classes from static assets
         # yamllint disable rule:line-length
         entry: |
-          bash -c 'if ! [ "$(git diff --cached --name-only | grep "schema/")" ]; then echo "Skipping model generation because schemas were not changed."; exit 0; fi && \
+          bash -c 'if [ "$(git diff --cached --name-only | grep "schema/")" ]; then echo "Skipping model generation because schemas were not changed."; exit 0; fi && \
             datamodel-codegen \
                 --input ./dist/js/schema/ \
                 --input-file-type jsonschema \

package/package.json

@@ -1,6 +1,6 @@
 {
     "name": "@mat3ra/esse",
-    "version": "2024.4.8-0",
+    "version": "2024.4.8-2",
     "description": "Mat3ra's Excellent Source of Schemas and Examples (ESSE) for Digital Materials R&D",
     "scripts": {
         "transpile": "tsc -p tsconfig-transpile.json",

package/dist/py/__init__.py

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

package/dist/py/core/__init__.py

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

package/dist/py/core/abstract/2d_data.py

@@ -1,17 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/2d_data.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List, Union
-
-from pydantic import BaseModel, Field
-
-
-class Field2DimensionDataSchema(BaseModel):
-    xDataArray: List
-    """
-    array containing values of x Axis
-    """
-    yDataSeries: List[List[Union[float, str]]] = Field(..., title="1 dimension data series schema")

package/dist/py/core/abstract/2d_plot.py

@@ -1,34 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/2d_plot.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List, Optional, Union
-
-from pydantic import BaseModel, Field
-
-
-class AxisSchema(BaseModel):
-    label: str
-    """
-    label of an axis object
-    """
-    units: Optional[str] = None
-    """
-    units for an axis
-    """
-
-
-class Field2DimensionPlotSchema(BaseModel):
-    xAxis: AxisSchema = Field(..., title="axis schema")
-    yAxis: AxisSchema = Field(..., title="axis schema")
-    legend: Optional[List] = Field(None, min_length=1)
-    """
-    Legend of y Axis data series
-    """
-    xDataArray: List
-    """
-    array containing values of x Axis
-    """
-    yDataSeries: List[List[Union[float, str]]] = Field(..., title="1 dimension data series schema")

package/dist/py/core/abstract/3d_grid.py

@@ -1,14 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/3d_grid.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List
-
-from pydantic import BaseModel, Field
-
-
-class Field3DimensionalGridSchema(BaseModel):
-    dimensions: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
-    shifts: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")

package/dist/py/core/abstract/3d_tensor.py

@@ -1,19 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/3d_tensor.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Any, List
-
-from pydantic import Field, RootModel
-
-
-class ArrayOf3NumberElementsSchema(RootModel[List[Any]]):
-    root: List[Any] = Field(..., title="array of 3 number elements schema")
-
-
-class Field3DimensionalTensorSchema(RootModel[List[ArrayOf3NumberElementsSchema]]):
-    root: List[ArrayOf3NumberElementsSchema] = Field(
-        ..., max_length=3, min_length=3, title="3 dimensional tensor schema"
-    )

package/dist/py/core/abstract/3d_vector_basis.py

@@ -1,15 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/3d_vector_basis.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List
-
-from pydantic import BaseModel, Field
-
-
-class Field3DimensionalVectorBasis(BaseModel):
-    a: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
-    b: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")
-    c: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")

package/dist/py/core/abstract/__init__.py

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

package/dist/py/core/abstract/point.py

@@ -1,13 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/point.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List
-
-from pydantic import Field, RootModel
-
-
-class PointSchema(RootModel[List[float]]):
-    root: List[float] = Field(..., max_length=3, min_length=3, title="point schema")

package/dist/py/core/abstract/vector.py

@@ -1,13 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/abstract/vector.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List, Union
-
-from pydantic import Field, RootModel
-
-
-class ESSE(RootModel[Union[List[float], List[bool]]]):
-    root: Union[List[float], List[bool]] = Field(..., title="vector schema")

package/dist/py/core/primitive/1d_data_series.py

@@ -1,13 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/1d_data_series.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List, Union
-
-from pydantic import Field, RootModel
-
-
-class Field1DimensionDataSeriesSchema(RootModel[List[List[Union[float, str]]]]):
-    root: List[List[Union[float, str]]] = Field(..., title="1 dimension data series schema")

package/dist/py/core/primitive/3d_lattice.py

@@ -1,34 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/3d_lattice.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from pydantic import BaseModel
-
-
-class Field3DimensionalLatticeSchema(BaseModel):
-    a: float
-    """
-    length of the first lattice vector
-    """
-    b: float
-    """
-    length of the second lattice vector
-    """
-    c: float
-    """
-    length of the third lattice vector
-    """
-    alpha: float
-    """
-    angle between first and second lattice vector
-    """
-    beta: float
-    """
-    angle between second and third lattice vector
-    """
-    gamma: float
-    """
-    angle between first and third lattice vector
-    """

package/dist/py/core/primitive/__init__.py

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

package/dist/py/core/primitive/array_of_3_booleans.py

@@ -1,13 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/array_of_3_booleans.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List
-
-from pydantic import Field, RootModel
-
-
-class ArrayOf3BooleanElementsSchema(RootModel[List[bool]]):
-    root: List[bool] = Field(..., max_length=3, min_length=3, title="array of 3 boolean elements schema")

package/dist/py/core/primitive/array_of_3_numbers.py

@@ -1,13 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/array_of_3_numbers.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List
-
-from pydantic import Field, RootModel
-
-
-class ArrayOf3NumberElementsSchema(RootModel[List[float]]):
-    root: List[float] = Field(..., max_length=3, min_length=3, title="array of 3 number elements schema")

package/dist/py/core/primitive/array_of_ids.py

@@ -1,23 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/array_of_ids.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List, Optional
-
-from pydantic import BaseModel, Field, RootModel
-
-
-class AtomicId(BaseModel):
-    id: Optional[int] = None
-    """
-    integer id of this entry
-    """
-
-
-class AtomicIds(RootModel[List[AtomicId]]):
-    root: List[AtomicId] = Field(..., title="atomic ids")
-    """
-    array of objects containing integer id each
-    """

package/dist/py/core/primitive/array_of_strings.py

@@ -1,16 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/array_of_strings.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import List
-
-from pydantic import Field, RootModel
-
-
-class ArrayOfStrings(RootModel[List[str]]):
-    root: List[str] = Field(..., title="array of strings")
-    """
-    array of strings, e.g. metadata tags
-    """

package/dist/py/core/primitive/axis.py

@@ -1,20 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/axis.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Optional
-
-from pydantic import BaseModel
-
-
-class AxisSchema(BaseModel):
-    label: str
-    """
-    label of an axis object
-    """
-    units: Optional[str] = None
-    """
-    units for an axis
-    """

package/dist/py/core/primitive/group_info.py

@@ -1,20 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/group_info.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Optional
-
-from pydantic import BaseModel
-
-
-class GroupInfoSchemaForNodesInAGraph(BaseModel):
-    groupName: Optional[str] = None
-    """
-    Human-readable name of group of nodes
-    """
-    groupId: Optional[str] = None
-    """
-    Unique identifier of the group a node belongs to
-    """

package/dist/py/core/primitive/integer_one_or_zero.py

@@ -1,11 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/integer_one_or_zero.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from pydantic import Field, RootModel, conint
-
-
-class IntegerOneOrZero(RootModel[conint(ge=0, le=1)]):
-    root: conint(ge=0, le=1) = Field(..., title="integer one or zero")

package/dist/py/core/primitive/linked_list/__init__.py

@@ -1,33 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/linked_list.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Any, Dict, List, Union
-
-from pydantic import Field, RootModel
-
-
-class BasicNodeSchemaLinkedList(RootModel[Dict[str, Any]]):
-    root: Dict[str, Any] = Field(..., title="basic node schema (linked list)")
-
-
-class NamedNodeSchema(RootModel[Dict[str, Any]]):
-    root: Dict[str, Any] = Field(..., title="Named node schema")
-
-
-class NamedNodeInGroupSchema(RootModel[Dict[str, Any]]):
-    root: Dict[str, Any] = Field(..., title="Named node in group schema")
-
-
-class TypedNodeSchema(RootModel[Dict[str, Any]]):
-    root: Dict[str, Any] = Field(..., title="Typed node schema")
-
-
-class LinkedListSchema(
-    RootModel[List[Union[BasicNodeSchemaLinkedList, NamedNodeSchema, NamedNodeInGroupSchema, TypedNodeSchema]]]
-):
-    root: List[Union[BasicNodeSchemaLinkedList, NamedNodeSchema, NamedNodeInGroupSchema, TypedNodeSchema]] = Field(
-        ..., title="linked list schema"
-    )

package/dist/py/core/primitive/linked_list/base_node.py

@@ -1,31 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/linked_list/base_node.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Optional
-
-from pydantic import BaseModel
-
-
-class BasicNodeSchemaLinkedList(BaseModel):
-    next: Optional[str] = None
-    """
-    Flowchart ID of next node
-    """
-    head: Optional[bool] = None
-    """
-    Whether node is head node or not
-    """
-    flowchartId: str
-    """
-    Unique flowchart ID of node
-    """
-
-
-class FlowchartId(BaseModel):
-    flowchartId: str
-    """
-    Unique flowchart ID of node
-    """

package/dist/py/core/primitive/linked_list/named_node.py

@@ -1,35 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/linked_list/named_node.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Optional
-
-from pydantic import BaseModel
-
-
-class NamedNodeSchema(BaseModel):
-    next: Optional[str] = None
-    """
-    Flowchart ID of next node
-    """
-    head: Optional[bool] = None
-    """
-    Whether node is head node or not
-    """
-    flowchartId: str
-    """
-    Unique flowchart ID of node
-    """
-    name: Optional[str] = None
-    """
-    entity name
-    """
-
-
-class FlowchartId(BaseModel):
-    flowchartId: str
-    """
-    Unique flowchart ID of node
-    """

package/dist/py/core/primitive/linked_list/named_node_in_group.py

@@ -1,43 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/linked_list/named_node_in_group.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Optional
-
-from pydantic import BaseModel
-
-
-class NamedNodeInGroupSchema(BaseModel):
-    next: Optional[str] = None
-    """
-    Flowchart ID of next node
-    """
-    head: Optional[bool] = None
-    """
-    Whether node is head node or not
-    """
-    flowchartId: str
-    """
-    Unique flowchart ID of node
-    """
-    name: Optional[str] = None
-    """
-    entity name
-    """
-    groupName: Optional[str] = None
-    """
-    Human-readable name of group of nodes
-    """
-    groupId: Optional[str] = None
-    """
-    Unique identifier of the group a node belongs to
-    """
-
-
-class FlowchartId(BaseModel):
-    flowchartId: str
-    """
-    Unique flowchart ID of node
-    """

package/dist/py/core/primitive/linked_list/node_with_type.py

@@ -1,32 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/linked_list/node_with_type.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Optional
-
-from pydantic import BaseModel
-
-
-class TypedNodeSchema(BaseModel):
-    type: Optional[str] = None
-    next: Optional[str] = None
-    """
-    Flowchart ID of next node
-    """
-    head: Optional[bool] = None
-    """
-    Whether node is head node or not
-    """
-    flowchartId: str
-    """
-    Unique flowchart ID of node
-    """
-
-
-class FlowchartId(BaseModel):
-    flowchartId: str
-    """
-    Unique flowchart ID of node
-    """

package/dist/py/core/primitive/scalar.py

@@ -1,11 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/scalar.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from pydantic import BaseModel
-
-
-class ScalarSchema(BaseModel):
-    value: float

package/dist/py/core/primitive/slugified_entry.py

@@ -1,18 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/slugified_entry.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from pydantic import BaseModel
-
-
-class SlugifiedEntry(BaseModel):
-    name: str
-    """
-    descriptive human-readable name of entry
-    """
-    slug: str
-    """
-    machine-readable identifier
-    """

package/dist/py/core/primitive/slugified_entry_or_slug.py

@@ -1,27 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/slugified_entry_or_slug.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from typing import Union
-
-from pydantic import BaseModel, Field, RootModel
-
-
-class SlugifiedEntry(BaseModel):
-    name: str
-    """
-    descriptive human-readable name of entry
-    """
-    slug: str
-    """
-    machine-readable identifier
-    """
-
-
-class ESSE(RootModel[Union[SlugifiedEntry, str]]):
-    root: Union[SlugifiedEntry, str] = Field(..., title="slugified entry or slug")
-    """
-    contains either object with slugified entry or slug only as a string
-    """

package/dist/py/core/primitive/string.py

@@ -1,11 +0,0 @@
-# generated by datamodel-codegen:
-#   filename:  core/primitive/string.json
-#   version:   0.25.5
-
-from __future__ import annotations
-
-from pydantic import BaseModel
-
-
-class PrimitiveString(BaseModel):
-    value: str