CoreMS 4.0.0__py3-none-any.whl

corems/molecular_id/factory/lipid_molecular_metadata.py

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+__author__ = "Katherine R. Heal"
+__date__ = "2024-01-24"
+
+from dataclasses import dataclass
+
+from .EI_SQL import MetaboliteMetadata
+
+_no_default = object()
+@dataclass
+class LipidMetadata(MetaboliteMetadata):
+    """Dataclass for the Lipid Metadata
+
+    Parameters
+    ----------
+    name : str
+        The name of the lipid, using the LIPID MAPS nomenclature
+    casno : str
+        The CAS number of the lipid
+    formula : str
+        The molecular formula of the lipid
+    pubchem_id : str
+        The PubChem ID of the lipid
+    structure_level : str
+        The structure level of the lipid, following the LIPID MAPS classification
+    lipid_summed_name : str
+        The summed name of the lipid, aka lipid species,
+        following the LIPID MAPS classification
+    lipid_subclass : str
+        The subclass of the lipid, following the LIPID MAPS classification
+    lipid_class : str
+        The class of the lipid, following the LIPID MAPS classification
+    lipid_category : str
+        The category of the lipid, following the LIPID MAPS classification
+    """
+
+    casno: str = _no_default
+    pubchem_id: str = _no_default
+    structure_level: str = _no_default
+
+    lipid_summed_name: str = _no_default
+    lipid_subclass: str = _no_default
+    lipid_class: str = _no_default
+    lipid_category: str = _no_default
+
+    def __post_init__(self):
+        for field in self.__dataclass_fields__:
+            if getattr(self, field) is _no_default:
+                raise TypeError(
+                    f"__init__ missing 1 required argument: '{field}'"
+                )