Merge branch 'develop' of https://github.com/FAIRChemistry/chromatopy …

…into develop

chromatopy/__init__.py

@@ -1,3 +1,3 @@
 
-__URL__ = ""
-__COMMIT__ = ""
+__URL__ = "https://github.com/FAIRChemistry/HPLC-specification"
+__COMMIT__ = "e1922ec9220fac3332dbf180c6db0a5fe1eefd25"

chromatopy/core/chromatigraphicexperiment.py

@@ -9,9 +9,9 @@
 from sdRDM.base.utils import forge_signature
 from sdRDM.tools.utils import elem2dict
 from datetime import datetime as Datetime
-from .signal import Signal
-from .measurement import Measurement
 from .method import Method
+from .measurement import Measurement
+from .signal import Signal
 from .molecule import Molecule
 
 
@@ -46,6 +46,12 @@ class ChromatigraphicExperiment(sdRDM.DataModel):
         tag="measurements",
         json_schema_extra=dict(multiple=True),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/column.py

@@ -8,8 +8,8 @@
 from sdRDM.base.listplus import ListPlus
 from sdRDM.base.utils import forge_signature
 from sdRDM.tools.utils import elem2dict
-from .inlet import Inlet
 from .detector import Detector
+from .inlet import Inlet
 
 
 @forge_signature
@@ -106,6 +106,12 @@ class Column(sdRDM.DataModel):
         tag="outlet_pressure",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/detector.py

@@ -62,6 +62,12 @@ class Detector(sdRDM.DataModel):
         tag="reference_flow",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/fiddetector.py

@@ -41,6 +41,12 @@ class FIDDetector(Detector):
         tag="negative_polarity",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/inlet.py

@@ -90,6 +90,12 @@ class Inlet(sdRDM.DataModel):
         tag="gas_type",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/measurement.py

@@ -9,9 +9,9 @@
 from sdRDM.base.utils import forge_signature
 from sdRDM.tools.utils import elem2dict
 from datetime import datetime as Datetime
-from .signal import Signal
-from .peak import Peak
 from .signaltype import SignalType
+from .peak import Peak
+from .signal import Signal
 
 
 @forge_signature
@@ -52,6 +52,12 @@ class Measurement(sdRDM.DataModel):
         tag="injection_volume_unit",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/method.py

@@ -8,11 +8,11 @@
 from sdRDM.base.listplus import ListPlus
 from sdRDM.base.utils import forge_signature
 from sdRDM.tools.utils import elem2dict
-from .oven import Oven
-from .inlet import Inlet
-from .valve import Valve
 from .column import Column
 from .detector import Detector
+from .valve import Valve
+from .inlet import Inlet
+from .oven import Oven
 
 
 @forge_signature
@@ -81,6 +81,12 @@ class Method(sdRDM.DataModel):
         tag="valves",
         json_schema_extra=dict(multiple=True),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/molecule.py

@@ -8,9 +8,9 @@
 from sdRDM.base.listplus import ListPlus
 from sdRDM.base.utils import forge_signature
 from sdRDM.tools.utils import elem2dict
-from .role import Role
-from .peak import Peak
 from .standard import Standard
+from .peak import Peak
+from .role import Role
 
 
 @forge_signature
@@ -82,6 +82,12 @@ class Molecule(sdRDM.DataModel):
         tag="role",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/oven.py

@@ -70,6 +70,12 @@ class Oven(sdRDM.DataModel):
         tag="run_time",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/peak.py

@@ -90,6 +90,12 @@ class Peak(sdRDM.DataModel):
         tag="percent_area",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/ramp.py

@@ -50,6 +50,12 @@ class Ramp(sdRDM.DataModel):
         tag="time_unit",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/signal.py

@@ -8,8 +8,8 @@
 from sdRDM.base.listplus import ListPlus
 from sdRDM.base.utils import forge_signature
 from sdRDM.tools.utils import elem2dict
-from .signaltype import SignalType
 from .peak import Peak
+from .signaltype import SignalType
 
 
 @forge_signature
@@ -36,6 +36,12 @@ class Signal(sdRDM.DataModel):
         tag="type",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/standard.py

@@ -27,6 +27,12 @@ class Standard(sdRDM.DataModel):
         tag="factor",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/tcddetector.py

@@ -55,6 +55,12 @@ class TCDDetector(Detector):
         tag="lit_offset",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")

chromatopy/core/valve.py

@@ -48,6 +48,12 @@ class Valve(sdRDM.DataModel):
         tag="inject_time",
         json_schema_extra=dict(),
     )
+    _repo: Optional[str] = PrivateAttr(
+        default="https://github.com/FAIRChemistry/HPLC-specification"
+    )
+    _commit: Optional[str] = PrivateAttr(
+        default="e1922ec9220fac3332dbf180c6db0a5fe1eefd25"
+    )
     _raw_xml_data: Dict = PrivateAttr(default_factory=dict)
 
     @model_validator(mode="after")