API update

FAIRFlowChemistry/__init__.py

@@ -1,3 +1,3 @@
 
 __URL__ = "https://github.com/FAIRChemistry/FAIRFlowChemistry"
-__COMMIT__ = "ff495cb3c7e3baec101ecf174569b19e722565cc"
+__COMMIT__ = "c41a0c1e08586e8cb4deff5d7a6e8b76d1e12ca7"

FAIRFlowChemistry/core/__init__.py

@@ -15,7 +15,6 @@
 from .measurementtype import MeasurementType
 
 __doc__ = ""
-
 __all__ = [
     "Dataset",
     "Experiment",

FAIRFlowChemistry/core/calibration.py

@@ -1,22 +1,20 @@
 import sdRDM
-import numpy as np
 
+import numpy as np
 from typing import List, Optional
-from uuid import uuid4
 from pydantic import PrivateAttr
+from uuid import uuid4
 from pydantic_xml import attr, element, wrapped
 from sdRDM.base.listplus import ListPlus
 from sdRDM.base.utils import forge_signature
-
-
 from .data import Data
 
 
 @forge_signature
 class Calibration(
     sdRDM.DataModel,
     nsmap={
-        "": "https://github.com/FAIRChemistry/FAIRFlowChemistry@ff495cb3c7e3baec101ecf174569b19e722565cc#Calibration"
+        "": "https://github.com/FAIRChemistry/FAIRFlowChemistry@c41a0c1e08586e8cb4deff5d7a6e8b76d1e12ca7#Calibration"
     },
 ):
     """"""
@@ -48,9 +46,7 @@ class Calibration(
             description="regression coefficients in order of increasing degree.",
             default_factory=ListPlus,
             tag="float",
-            json_schema_extra=dict(
-                multiple=True,
-            ),
+            json_schema_extra=dict(multiple=True),
         ),
     )
 
@@ -60,12 +56,11 @@ class Calibration(
         tag="degree",
         json_schema_extra=dict(),
     )
-
     _repo: Optional[str] = PrivateAttr(
         default="https://github.com/FAIRChemistry/FAIRFlowChemistry"
     )
     _commit: Optional[str] = PrivateAttr(
-        default="ff495cb3c7e3baec101ecf174569b19e722565cc"
+        default="c41a0c1e08586e8cb4deff5d7a6e8b76d1e12ca7"
     )
 
     def calibrate(self):

FAIRFlowChemistry/core/component.py

@@ -1,22 +1,20 @@
 import sdRDM
 
 from typing import List, Optional
-from uuid import uuid4
 from pydantic import PrivateAttr
+from uuid import uuid4
 from pydantic_xml import attr, element, wrapped
 from sdRDM.base.listplus import ListPlus
 from sdRDM.base.utils import forge_signature
-
-
-from .genericattibute import GenericAttibute
 from .componenttype import ComponentType
+from .genericattibute import GenericAttibute
 
 
 @forge_signature
 class Component(
     sdRDM.DataModel,
     nsmap={
-        "": "https://github.com/FAIRChemistry/FAIRFlowChemistry@ff495cb3c7e3baec101ecf174569b19e722565cc#Component"
+        "": "https://github.com/FAIRChemistry/FAIRFlowChemistry@c41a0c1e08586e8cb4deff5d7a6e8b76d1e12ca7#Component"
     },
 ):
     """"""
@@ -72,9 +70,7 @@ class Component(
             description="a generic attribute as defined by DEXPI.",
             default_factory=ListPlus,
             tag="GenericAttibute",
-            json_schema_extra=dict(
-                multiple=True,
-            ),
+            json_schema_extra=dict(multiple=True),
         ),
     )
 
@@ -87,17 +83,14 @@ class Component(
             ),
             default_factory=ListPlus,
             tag="string",
-            json_schema_extra=dict(
-                multiple=True,
-            ),
+            json_schema_extra=dict(multiple=True),
         ),
     )
-
     _repo: Optional[str] = PrivateAttr(
         default="https://github.com/FAIRChemistry/FAIRFlowChemistry"
     )
     _commit: Optional[str] = PrivateAttr(
-        default="ff495cb3c7e3baec101ecf174569b19e722565cc"
+        default="c41a0c1e08586e8cb4deff5d7a6e8b76d1e12ca7"
     )
 
     def add_to_generic_attributes(
@@ -122,7 +115,6 @@ def add_to_generic_attributes(
             units (): bla.. Defaults to None
             units_uri (): bla. Defaults to None
         """
-
         params = {
             "name": name,
             "attribute_uri": attribute_uri,
@@ -131,10 +123,7 @@ def add_to_generic_attributes(
             "units": units,
             "units_uri": units_uri,
         }
-
         if id is not None:
             params["id"] = id
-
         self.generic_attributes.append(GenericAttibute(**params))
-
         return self.generic_attributes[-1]

FAIRFlowChemistry/core/componenttype.py

@@ -2,6 +2,5 @@
 
 
 class ComponentType(Enum):
-
     EQUIPMENT = "Equipment"
     PIPINGCOMPONENT = "Piping component"

FAIRFlowChemistry/core/data.py

@@ -1,23 +1,21 @@
 import sdRDM
 
 from typing import Optional, Union, List
-from uuid import uuid4
 from pydantic import PrivateAttr
+from uuid import uuid4
 from pydantic_xml import attr, element, wrapped
 from sdRDM.base.listplus import ListPlus
 from sdRDM.base.utils import forge_signature
-
 from sdRDM.base.datatypes import Unit
 from datetime import datetime as Datetime
-
 from .quantity import Quantity
 
 
 @forge_signature
 class Data(
     sdRDM.DataModel,
     nsmap={
-        "": "https://github.com/FAIRChemistry/FAIRFlowChemistry@ff495cb3c7e3baec101ecf174569b19e722565cc#Data"
+        "": "https://github.com/FAIRChemistry/FAIRFlowChemistry@c41a0c1e08586e8cb4deff5d7a6e8b76d1e12ca7#Data"
     },
 ):
     """"""
@@ -42,9 +40,7 @@ class Data(
             description="values.",
             default_factory=ListPlus,
             tag="float",
-            json_schema_extra=dict(
-                multiple=True,
-            ),
+            json_schema_extra=dict(multiple=True),
         ),
     )
 
@@ -54,10 +50,9 @@ class Data(
         tag="unit",
         json_schema_extra=dict(),
     )
-
     _repo: Optional[str] = PrivateAttr(
         default="https://github.com/FAIRChemistry/FAIRFlowChemistry"
     )
     _commit: Optional[str] = PrivateAttr(
-        default="ff495cb3c7e3baec101ecf174569b19e722565cc"
+        default="c41a0c1e08586e8cb4deff5d7a6e8b76d1e12ca7"
     )

FAIRFlowChemistry/core/dataset.py

@@ -1,24 +1,22 @@
 import sdRDM
 
 from typing import List, Optional
-from uuid import uuid4
 from pydantic import PrivateAttr
+from uuid import uuid4
 from pydantic_xml import attr, element, wrapped
 from sdRDM.base.listplus import ListPlus
 from sdRDM.base.utils import forge_signature
-
-
-from .experiment import Experiment
 from .measurement import Measurement
-from .plantsetup import PlantSetup
+from .experiment import Experiment
 from .speciesdata import SpeciesData
+from .plantsetup import PlantSetup
 
 
 @forge_signature
 class GeneralInformation(
     sdRDM.DataModel,
     nsmap={
-        "": "https://github.com/FAIRChemistry/FAIRFlowChemistry@ff495cb3c7e3baec101ecf174569b19e722565cc#GeneralInformation"
+        "": "https://github.com/FAIRChemistry/FAIRFlowChemistry@c41a0c1e08586e8cb4deff5d7a6e8b76d1e12ca7#GeneralInformation"
     },
 ):
     """Small type for attribute 'general_information'"""
@@ -29,44 +27,29 @@ class GeneralInformation(
         default_factory=lambda: str(uuid4()),
         xml="@id",
     )
-
-    title: Optional[str] = element(
-        default=None,
-        tag="title",
-        json_schema_extra=dict(),
-    )
-
+    title: Optional[str] = element(default=None, tag="title", json_schema_extra=dict())
     project: Optional[str] = element(
-        default=None,
-        tag="project",
-        json_schema_extra=dict(),
+        default=None, tag="project", json_schema_extra=dict()
     )
-
     description: Optional[str] = element(
-        default=None,
-        tag="description",
-        json_schema_extra=dict(),
+        default=None, tag="description", json_schema_extra=dict()
     )
-
     purpose: Optional[str] = element(
-        default=None,
-        tag="purpose",
-        json_schema_extra=dict(),
+        default=None, tag="purpose", json_schema_extra=dict()
     )
-
     _repo: Optional[str] = PrivateAttr(
         default="https://github.com/FAIRChemistry/FAIRFlowChemistry"
     )
     _commit: Optional[str] = PrivateAttr(
-        default="ff495cb3c7e3baec101ecf174569b19e722565cc"
+        default="c41a0c1e08586e8cb4deff5d7a6e8b76d1e12ca7"
     )
 
 
 @forge_signature
 class Dataset(
     sdRDM.DataModel,
     nsmap={
-        "": "https://github.com/FAIRChemistry/FAIRFlowChemistry@ff495cb3c7e3baec101ecf174569b19e722565cc#Dataset"
+        "": "https://github.com/FAIRChemistry/FAIRFlowChemistry@c41a0c1e08586e8cb4deff5d7a6e8b76d1e12ca7#Dataset"
     },
 ):
     """"""
@@ -94,17 +77,14 @@ class Dataset(
             description="information about the individual experiment.",
             default_factory=ListPlus,
             tag="Experiment",
-            json_schema_extra=dict(
-                multiple=True,
-            ),
+            json_schema_extra=dict(multiple=True),
         ),
     )
-
     _repo: Optional[str] = PrivateAttr(
         default="https://github.com/FAIRChemistry/FAIRFlowChemistry"
     )
     _commit: Optional[str] = PrivateAttr(
-        default="ff495cb3c7e3baec101ecf174569b19e722565cc"
+        default="c41a0c1e08586e8cb4deff5d7a6e8b76d1e12ca7"
     )
 
     def add_to_experiments(
@@ -123,16 +103,12 @@ def add_to_experiments(
             measurements (): different measurements that are made within the scope of one experiment.. Defaults to ListPlus()
             species_data (): all provided and calculated data about a specific species.. Defaults to ListPlus()
         """
-
         params = {
             "plant_setup": plant_setup,
             "measurements": measurements,
             "species_data": species_data,
         }
-
         if id is not None:
             params["id"] = id
-
         self.experiments.append(Experiment(**params))
-
         return self.experiments[-1]

FAIRFlowChemistry/core/datatype.py

@@ -2,7 +2,6 @@
 
 
 class DataType(Enum):
-
     STRING = "string"
     FLOAT = "float"
     DATE = "date"