albert 1.10.0rc2__py3-none-any.whl → 1.11.1__py3-none-any.whl

albert/resources/notebooks.py

@@ -1,7 +1,10 @@
+from __future__ import annotations
+
 import re
 import uuid
 from datetime import datetime
 from enum import Enum
+from pathlib import Path
 from typing import Annotated, Any, Literal
 
 from pandas import DataFrame
@@ -104,6 +107,7 @@ class AttachesContent(BaseAlbertModel):
     namespace: str = Field(default="result")
     file_key: str | None = Field(default=None, alias="fileKey")
     format: str | None = Field(default=None, alias="mimeType")
+    file_path: str | Path | None = Field(default=None, exclude=True)
     signed_url: str | None = Field(default=None, alias="signedURL", exclude=True, frozen=True)
 
 
@@ -120,6 +124,7 @@ class ImageContent(BaseAlbertModel):
     with_border: bool = Field(default=False, alias="withBorder")
     file_key: str | None = Field(default=None, alias="fileKey")
     format: str | None = Field(default=None, alias="mimeType")
+    file_path: str | Path | None = Field(default=None, exclude=True)
     signed_url: str | None = Field(default=None, alias="signedURL", exclude=True, frozen=True)
 
 
@@ -130,14 +135,14 @@ class ImageBlock(BaseBlock):
 
 class KetcherContent(BaseAlbertModel):
     synthesis_id: SynthesisId | None = Field(default=None, alias="synthesisId")
-    name: str | None = Field(default=None)
     id: str | None = Field(default=None)
     block_id: str | None = Field(default=None, alias="blockId")
-    data: str | None = Field(default=None)
+    data: str = Field(default=None, exclude=True)
     file_key: str | None = Field(default=None, alias="fileKey")
-    s3_key: str | None = Field(default=None, alias="s3Key", exclude=True, frozen=True)
-    png: str | None = Field(default=None, exclude=True, frozen=True)
-    ketcher_url: str | None = Field(default=None, alias="ketcherUrl", exclude=True, frozen=True)
+    s3_key: str | None = Field(default=None, alias="s3Key")
+    png: str | None = Field(default=None, exclude=True)
+    state_type: str = Field(default="project", alias="stateType")
+    smiles: str | None = Field(default=None, alias="smiles", exclude=True)
 
 
 class KetcherBlock(BaseBlock):
@@ -179,7 +184,7 @@ class TableBlock(BaseBlock):
 
 class NotebookListItem(BaseAlbertModel):
     content: str | None
-    items: list["NotebookListItem"] = Field(default_factory=list)
+    items: list[NotebookListItem] = Field(default_factory=list)
 
 
 class BulletedListContent(BaseAlbertModel):
@@ -264,7 +269,7 @@ class PutBlockDatum(BaseAlbertModel):
     previous_block_id: str | None = Field(default=None, alias="previousBlockId")
 
     @model_validator(mode="after")
-    def content_matches_type(self) -> "PutBlockDatum":
+    def content_matches_type(self) -> PutBlockDatum:
         if self.content is None:
             return self  # skip check if there's no content
 

albert/resources/parameter_groups.py

@@ -1,3 +1,5 @@
+from __future__ import annotations
+
 from enum import Enum
 from typing import Any
 
@@ -123,7 +125,7 @@ class ParameterValue(BaseAlbertModel):
         return value
 
     @model_validator(mode="after")
-    def set_parameter_fields(self) -> "ParameterValue":
+    def set_parameter_fields(self) -> ParameterValue:
         if self.parameter is None and self.id is None:
             raise ValueError("Please provide either an id or an parameter object.")
 

albert/resources/property_data.py

@@ -1,4 +1,7 @@
+from __future__ import annotations
+
 from enum import Enum
+from pathlib import Path
 from typing import Any, Literal
 
 import pandas as pd
@@ -20,7 +23,12 @@ from albert.core.shared.identifiers import (
 from albert.core.shared.models.base import BaseResource
 from albert.core.shared.models.patch import PatchDatum
 from albert.core.shared.types import SerializeAsEntityLink
-from albert.resources.data_templates import DataTemplate
+from albert.resources.data_templates import (
+    CurveDBMetadata,
+    DataTemplate,
+    ImportMode,
+    StorageKeyReference,
+)
 from albert.resources.lots import Lot
 from albert.resources.units import Unit
 from albert.resources.workflows import Workflow
@@ -173,7 +181,7 @@ class BulkPropertyData(BaseAlbertModel):
     )
 
     @classmethod
-    def from_dataframe(cls, df: pd.DataFrame) -> "BulkPropertyData":
+    def from_dataframe(cls, df: pd.DataFrame) -> BulkPropertyData:
         """
         Converts a DataFrame to a BulkPropertyData object.
 
@@ -205,6 +213,51 @@ class TaskPropertyValue(BaseAlbertModel):
     value: str | None = Field(default=None)
 
 
+class ImagePropertyValue(BaseAlbertModel):
+    """
+    Image property value input.
+
+    Attributes
+    ----------
+    file_path : str | Path
+        Local path to the image file to upload.
+    """
+
+    file_path: str | Path
+
+
+class CurvePropertyValue(BaseAlbertModel):
+    """
+    Curve property value input.
+
+    Attributes
+    ----------
+    file_path : str | Path
+        Local path to the CSV file containing curve data.
+    mode : ImportMode
+        Import mode for the curve data.
+    field_mapping : dict[str, str] | None
+        Optional mapping from CSV headers to curve result identifiers.
+    """
+
+    file_path: str | Path
+    mode: ImportMode = ImportMode.CSV
+    field_mapping: dict[str, str] | None = None
+
+
+class ImagePropertyValuePayload(BaseAlbertModel):
+    file_name: str = Field(alias="fileName")
+    s3_key: StorageKeyReference = Field(alias="s3Key")
+
+
+class CurvePropertyValuePayload(BaseAlbertModel):
+    file_name: str = Field(alias="fileName")
+    s3_key: StorageKeyReference = Field(alias="s3Key")
+    job_id: str = Field(alias="jobId")
+    csv_mapping: dict[str, str] = Field(alias="csvMapping")
+    athena: CurveDBMetadata
+
+
 class TaskDataColumn(BaseAlbertModel):
     data_column_id: DataColumnId = Field(alias="id")
     column_sequence: str | None = Field(default=None, alias="columnId")
@@ -263,9 +316,15 @@ class TaskPropertyCreate(BaseResource):
         description="The interval combination, which can be found using `Workflow.get_interval_id`.",
     )
     data_column: TaskDataColumn = Field(
-        ..., alias="DataColumns", description="The data column associated with the task property."
+        alias="DataColumns", description="The data column associated with the task property."
+    )
+    value: str | ImagePropertyValue | CurvePropertyValue | None = Field(
+        default=None,
+        description=(
+            "The value of the task property. Use ImagePropertyValue for image data columns or "
+            "CurvePropertyValue for curve data columns."
+        ),
     )
-    value: str | None = Field(default=None, description="The value of the task property.")
     trial_number: int = Field(
         alias="trialNo",
         default=None,
@@ -283,7 +342,7 @@ class TaskPropertyCreate(BaseResource):
     )
 
     @model_validator(mode="after")
-    def set_visible_trial_number(self) -> "TaskPropertyCreate":
+    def set_visible_trial_number(self) -> TaskPropertyCreate:
         if self.visible_trial_number is None:
             if self.trial_number is not None:
                 self.visible_trial_number = self.trial_number

albert/resources/sheets.py

@@ -1,3 +1,5 @@
+from __future__ import annotations
+
 from enum import Enum
 from typing import Any, ForwardRef, TypedDict, Union
 
@@ -165,7 +167,7 @@ class Component(BaseResource):
     _cell: Cell = None  # read only property set on registrstion
 
     @model_validator(mode="after")
-    def _ensure_inventory_reference(self: "Component") -> "Component":
+    def _ensure_inventory_reference(self: Component) -> Component:
         item = self.inventory_item
         if item is None and self.inventory_id is None:
             raise ValueError("Component requires either 'inventory_item' or 'inventory_id'.")
@@ -217,9 +219,9 @@ class Design(BaseSessionResource):
     id: str = Field(alias="albertId")
     design_type: DesignType = Field(alias="designType")
     _grid: pd.DataFrame | None = PrivateAttr(default=None)
-    _rows: list["Row"] | None = PrivateAttr(default=None)
-    _columns: list["Column"] | None = PrivateAttr(default=None)
-    _sheet: Union["Sheet", None] = PrivateAttr(default=None)  # noqa
+    _rows: list[Row] | None = PrivateAttr(default=None)
+    _columns: list[Column] | None = PrivateAttr(default=None)
+    _sheet: Union[Sheet, None] = PrivateAttr(default=None)  # noqa
     _leftmost_pinned_column: str | None = PrivateAttr(default=None)
 
     def _grid_to_cell_df(self, *, grid_response):
@@ -284,7 +286,7 @@ class Design(BaseSessionResource):
             self._grid = self._get_grid()
         return self._grid
 
-    def _get_columns(self, *, grid_response: dict) -> list["Column"]:
+    def _get_columns(self, *, grid_response: dict) -> list[Column]:
         """
         Normalizes inventory IDs (always prefixed "INV") and—for the
         "Inventory ID" header—falls back to the row's top-level `id`
@@ -358,7 +360,7 @@ class Design(BaseSessionResource):
 
         return cols
 
-    def _get_rows(self, *, grid_response: dict) -> list["Row"]:
+    def _get_rows(self, *, grid_response: dict) -> list[Row]:
         """
         Parse the /grid response into a list of Row models.
 
@@ -413,13 +415,13 @@ class Design(BaseSessionResource):
         return self._grid_to_cell_df(grid_response=resp_json)
 
     @property
-    def columns(self) -> list["Column"]:
+    def columns(self) -> list[Column]:
         if not self._columns:
             self._get_grid()
         return self._columns
 
     @property
-    def rows(self) -> list["Row"]:
+    def rows(self) -> list[Row]:
         if not self._rows:
             self._get_grid()
         return self._rows
@@ -494,7 +496,7 @@ class Sheet(BaseSessionResource):  # noqa:F811
         return self._process_design
 
     @model_validator(mode="after")
-    def set_sheet_fields(self: "Sheet") -> "Sheet":
+    def set_sheet_fields(self: Sheet) -> Sheet:
         for _idx, d in enumerate(self.designs):  # Instead of creating a new list
             d._sheet = self  # Set the reference to the sheet
             if d.design_type == DesignType.APPS:
@@ -542,12 +544,12 @@ class Sheet(BaseSessionResource):  # noqa:F811
         return self._leftmost_pinned_column
 
     @property
-    def columns(self) -> list["Column"]:
+    def columns(self) -> list[Column]:
         """The columns of a given sheet"""
         return self.product_design.columns
 
     @property
-    def rows(self) -> list["Row"]:
+    def rows(self) -> list[Row]:
         """The rows of a given sheet"""
         rows = []
         for d in self.designs:
@@ -607,7 +609,7 @@ class Sheet(BaseSessionResource):  # noqa:F811
             new_dicts.append(this_dict)
         return new_dicts
 
-    def _clear_formulation_from_column(self, *, column: "Column"):
+    def _clear_formulation_from_column(self, *, column: Column):
         cleared_cells = []
         for cell in column.cells:
             if cell.type == CellType.INVENTORY:
@@ -674,7 +676,7 @@ class Sheet(BaseSessionResource):  # noqa:F811
         inventory_id: InventoryId,
         existing_cells,
         enforce_order,
-        product_rows: list["Row"],
+        product_rows: list[Row],
     ):
         sheet_inv_id = inventory_id
         matching_rows = [row for row in product_rows if row.inventory_id == sheet_inv_id]
@@ -736,7 +738,7 @@ class Sheet(BaseSessionResource):  # noqa:F811
         *,
         formulation_names: list[str],
         starting_position: dict | None = None,
-    ) -> list["Column"]:
+    ) -> list[Column]:
         if starting_position is None:
             starting_position = {
                 "reference_id": self.leftmost_pinned_column,

albert/resources/synthesis.py

@@ -0,0 +1,61 @@
+from __future__ import annotations
+
+from typing import Any
+
+from pydantic import Field
+
+from albert.core.base import BaseAlbertModel
+from albert.core.shared.identifiers import NotebookId, SynthesisId
+from albert.core.shared.models.base import AuditFields
+
+
+class ColumnDescriptor(BaseAlbertModel):
+    id: str
+    label: str | None = None
+    category: str | None = None
+    default: Any | None = None
+    type: str | None = None
+
+
+class ColumnSequence(BaseAlbertModel):
+    reactants: list[ColumnDescriptor] = Field(default_factory=list)
+    products: list[ColumnDescriptor] = Field(default_factory=list)
+
+
+class RowSequence(BaseAlbertModel):
+    reactants: list[str] = Field(default_factory=list)
+    products: list[str] = Field(default_factory=list)
+
+
+class ReactionParticipant(BaseAlbertModel):
+    row_id: str = Field(alias="rowId")
+    smiles: str | None = None
+    values: dict[str, Any] | None = None
+    type: str | None = None
+    limiting_reagent: str | bool | None = Field(default=None, alias="limitingReagent")
+
+
+class Synthesis(BaseAlbertModel):
+    id: SynthesisId = Field(alias="albertId")
+    parent_id: NotebookId | str | None = Field(default=None, alias="parentId")
+    name: str | None = None
+    status: str | None = None
+    block_id: str | None = Field(default=None, alias="blockId")
+    inventory_id: str | None = Field(default=None, alias="inventoryId")
+    hide_reaction_worksheet: str | bool | None = Field(default=None, alias="hideReactionWorksheet")
+    s3_key: str | None = Field(default=None, alias="s3Key")
+    canvas_data: dict[str, Any] | None = Field(default=None, alias="canvasData")
+    smiles: list[str | None] = Field(default_factory=list)
+    reactants: list[ReactionParticipant] = Field(default_factory=list)
+    products: list[ReactionParticipant] = Field(default_factory=list)
+    column_sequence: ColumnSequence | None = Field(default=None, alias="columnSequence")
+    row_sequence: RowSequence | None = Field(default=None, alias="rowSequence")
+    created: AuditFields | None = Field(default=None, alias="Created")
+    updated: AuditFields | None = Field(default=None, alias="Updated")
+
+
+class ReactantValues(BaseAlbertModel):
+    mass: float | None = None
+    moles: float | None = None
+    eq: float | None = None
+    concentration: float | int | None = None

albert/resources/tags.py

@@ -1,3 +1,5 @@
+from __future__ import annotations
+
 from enum import Enum
 from typing import Any
 
@@ -45,7 +47,7 @@ class Tag(BaseResource):
     )
 
     @classmethod
-    def from_string(cls, tag: str) -> "Tag":
+    def from_string(cls, tag: str) -> Tag:
         """
         Creates a Tag object from a string.
 

albert/resources/tasks.py

@@ -1,3 +1,5 @@
+from __future__ import annotations
+
 from datetime import datetime
 from enum import Enum
 from typing import Annotated, Any, Literal
@@ -450,11 +452,6 @@ class TaskSearchItem(BaseAlbertModel, HydrationMixin[BaseTask]):
     parent_batch_status: str | None = Field(default=None, alias="parentBatchStatus")
 
 
-class ImportMode(str, Enum):
-    SCRIPT = "SCRIPT"
-    CSV = "CSV"
-
-
 # TODO: refactor TaskMetadata models to reuse existing models where possible
 class TaskMetadataDataTemplate(BaseAlbertModel):
     """Metadata summary describing a data template on the task."""
@@ -581,7 +578,7 @@ class CsvTableInput(BaseAlbertModel):
 
     script_s3_url: str = Field(alias="scriptS3URL")
     data_s3_url: str = Field(alias="dataS3URL")
-    task_metadata: "TaskMetadata" = Field(alias="TaskMetadata")
+    task_metadata: TaskMetadata = Field(alias="TaskMetadata")
 
 
 class CsvTableResponseItem(BaseAlbertModel):
@@ -596,7 +593,7 @@ class CsvCurveInput(BaseAlbertModel):
     script_s3_url: str = Field(alias="scriptS3URL")
     data_s3_url: str = Field(alias="dataS3URL")
     result_s3_url: str = Field(alias="resultS3URL")
-    task_metadata: "TaskMetadata" = Field(alias="TaskMetadata")
+    task_metadata: TaskMetadata = Field(alias="TaskMetadata")
 
 
 class CsvCurveResponse(BaseAlbertModel):

albert/resources/workflows.py

@@ -1,3 +1,5 @@
+from __future__ import annotations
+
 from collections.abc import Mapping
 from typing import Any
 
@@ -60,7 +62,7 @@ class Interval(BaseAlbertModel):
     row_id: RowId | None = Field(default=None, alias="rowId", exclude=True)
 
     @model_validator(mode="after")
-    def validate_interval(self) -> "Interval":
+    def validate_interval(self) -> Interval:
         if not self.value:
             raise ValueError("Interval: 'value' is required.")
         if self.unit and not getattr(self.unit, "id", None):
@@ -133,7 +135,7 @@ class ParameterSetpoint(BaseAlbertModel):
     sequence: str | None = Field(default=None, alias="prgPrmRowId")
 
     @model_validator(mode="after")
-    def validate_shape(self) -> "ParameterSetpoint":
+    def validate_shape(self) -> ParameterSetpoint:
         def has_id(obj: Any) -> bool:
             if isinstance(obj, Mapping):
                 return bool(obj.get("id"))