chore: add node v22

.github/workflows/cicd.yml

@@ -73,6 +73,7 @@ jobs:
       matrix:
         node-version:
           - 20.x
+          - 22.x
 
     steps:
       - name: Checkout this repository

src/py/mat3ra/esse/models/element.py

@@ -34,16 +34,16 @@ class AtomicRadius(BaseModel):
     value: float
 
 
-class Name25(Enum):
+class Name24(Enum):
     electronegativity = "electronegativity"
 
 
 class Electronegativity(BaseModel):
-    name: Optional[Name25] = None
+    name: Optional[Name24] = None
     value: float
 
 
-class Name26(Enum):
+class Name25(Enum):
     ionization_potential = "ionization_potential"
 
 
@@ -58,7 +58,7 @@ class Units20(Enum):
 
 
 class IonizationPotential(BaseModel):
-    name: Optional[Name26] = None
+    name: Optional[Name25] = None
     units: Optional[Units20] = None
     value: float
 

src/py/mat3ra/esse/models/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.py

@@ -10,12 +10,6 @@
 from pydantic import BaseModel, Field
 
 
-class Name(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
 class Severity(Enum):
     info = "info"
     warning = "warning"
@@ -27,7 +21,7 @@ class ConsistencyCheck(BaseModel):
     """
     Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
     """
-    name: Name
+    name: str
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

src/py/mat3ra/esse/models/material/__init__.py

@@ -161,7 +161,7 @@ class LatticeSchema(BaseModel):
     """
 
 
-class Name50(Enum):
+class Name47(Enum):
     volume = "volume"
 
 
@@ -175,7 +175,7 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name51(Enum):
+class Name48(Enum):
     density = "density"
 
 
@@ -198,7 +198,7 @@ class ScalarSchema(BaseModel):
     value: float
 
 
-class Name52(Enum):
+class Name49(Enum):
     symmetry = "symmetry"
 
 
@@ -218,7 +218,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name53(Enum):
+class Name50(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -231,7 +231,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name54(Enum):
+class Name51(Enum):
     p_norm = "p-norm"
 
 
@@ -244,7 +244,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name55(Enum):
+class Name52(Enum):
     inchi = "inchi"
 
 
@@ -253,7 +253,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name56(Enum):
+class Name53(Enum):
     inchi_key = "inchi_key"
 
 
@@ -332,7 +332,7 @@ class FileSourceSchema(BaseModel):
     """
 
 
-class Name57(Enum):
+class Name54(Enum):
     default = "default"
     atomsTooClose = "atomsTooClose"
     atomsOverlap = "atomsOverlap"
@@ -345,7 +345,7 @@ class Severity(Enum):
 
 
 class MaterialConsistencyCheckSchema(BaseModel):
-    name: Name57
+    name: Name54
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """

src/py/mat3ra/esse/models/properties_directory/derived_properties.py

@@ -25,7 +25,7 @@ class VolumeSchema(BaseModel):
     value: float
 
 
-class Name14(Enum):
+class Name13(Enum):
     density = "density"
 
 
@@ -48,7 +48,7 @@ class ScalarSchema(BaseModel):
     value: float
 
 
-class Name15(Enum):
+class Name14(Enum):
     symmetry = "symmetry"
 
 
@@ -68,7 +68,7 @@ class SymmetrySchema(BaseModel):
     name: Literal["2#-datamodel-code-generator-#-object-#-special-#"]
 
 
-class Name16(Enum):
+class Name15(Enum):
     elemental_ratio = "elemental_ratio"
 
 
@@ -81,7 +81,7 @@ class ElementalRatio(BaseModel):
     """
 
 
-class Name17(Enum):
+class Name16(Enum):
     p_norm = "p-norm"
 
 
@@ -94,7 +94,7 @@ class PNorm(BaseModel):
     value: float
 
 
-class Name18(Enum):
+class Name17(Enum):
     inchi = "inchi"
 
 
@@ -103,7 +103,7 @@ class InChIRepresentationSchema(BaseModel):
     value: str
 
 
-class Name19(Enum):
+class Name18(Enum):
     inchi_key = "inchi_key"
 
 

src/py/mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py

@@ -19,115 +19,115 @@ class ScalarSchema(BaseModel):
     value: float
 
 
-class Name80(Enum):
+class Name77(Enum):
     harris_foulkes = "harris_foulkes"
 
 
 class ScalarSchema6(BaseModel):
-    name: Optional[Name80] = None
+    name: Optional[Name77] = None
     value: float
 
 
-class Name81(Enum):
+class Name78(Enum):
     one_electron = "one_electron"
 
 
 class ScalarSchema7(BaseModel):
-    name: Optional[Name81] = None
+    name: Optional[Name78] = None
     value: float
 
 
-class Name82(Enum):
+class Name79(Enum):
     hartree = "hartree"
 
 
 class ScalarSchema8(BaseModel):
-    name: Optional[Name82] = None
+    name: Optional[Name79] = None
     value: float
 
 
-class Name83(Enum):
+class Name80(Enum):
     exchange = "exchange"
 
 
 class ScalarSchema9(BaseModel):
-    name: Optional[Name83] = None
+    name: Optional[Name80] = None
     value: float
 
 
-class Name84(Enum):
+class Name81(Enum):
     exchange_correlation = "exchange_correlation"
 
 
 class ScalarSchema10(BaseModel):
-    name: Optional[Name84] = None
+    name: Optional[Name81] = None
     value: float
 
 
-class Name85(Enum):
+class Name82(Enum):
     ewald = "ewald"
 
 
 class ScalarSchema11(BaseModel):
-    name: Optional[Name85] = None
+    name: Optional[Name82] = None
     value: float
 
 
-class Name86(Enum):
+class Name83(Enum):
     alphaZ = "alphaZ"
 
 
 class ScalarSchema12(BaseModel):
-    name: Optional[Name86] = None
+    name: Optional[Name83] = None
     value: float
 
 
-class Name87(Enum):
+class Name84(Enum):
     atomic_energy = "atomic_energy"
 
 
 class ScalarSchema13(BaseModel):
-    name: Optional[Name87] = None
+    name: Optional[Name84] = None
     value: float
 
 
-class Name88(Enum):
+class Name85(Enum):
     eigenvalues = "eigenvalues"
 
 
 class ScalarSchema14(BaseModel):
-    name: Optional[Name88] = None
+    name: Optional[Name85] = None
     value: float
 
 
-class Name89(Enum):
+class Name86(Enum):
     PAW_double_counting_correction_2 = "PAW_double-counting_correction_2"
 
 
 class ScalarSchema15(BaseModel):
-    name: Optional[Name89] = None
+    name: Optional[Name86] = None
     value: float
 
 
-class Name90(Enum):
+class Name87(Enum):
     PAW_double_counting_correction_3 = "PAW_double-counting_correction_3"
 
 
 class ScalarSchema16(BaseModel):
-    name: Optional[Name90] = None
+    name: Optional[Name87] = None
     value: float
 
 
-class Name91(Enum):
+class Name88(Enum):
     hartree_fock = "hartree_fock"
 
 
 class ScalarSchema17(BaseModel):
-    name: Optional[Name91] = None
+    name: Optional[Name88] = None
     value: float
 
 
-class Name92(Enum):
+class Name89(Enum):
     total_energy_contributions = "total_energy_contributions"
 
 
@@ -194,5 +194,5 @@ class TotalEnergyContributionsSchema(BaseModel):
     """
     hartree-fock contribution
     """
-    name: Optional[Name92] = None
+    name: Optional[Name89] = None
     units: Optional[Units] = None

src/py/mat3ra/esse/models/properties_directory/structural/molecular_pattern.py

@@ -37,25 +37,25 @@ class FunctionalGroupPatternSchema(BaseModel):
     """
 
 
-class Name60(Enum):
+class Name57(Enum):
     ring = "ring"
 
 
 class RingPatternSchema(BaseModel):
-    name: Optional[Name60] = None
+    name: Optional[Name57] = None
     atoms: Optional[List[AtomicId]] = Field(None, title="atomic ids")
     """
     array of objects containing integer id each
     """
     isAromatic: Optional[bool] = None
 
 
-class Name61(Enum):
+class Name58(Enum):
     special_bond = "special_bond"
 
 
 class SpecialBondPatternSchema(BaseModel):
-    name: Optional[Name61] = None
+    name: Optional[Name58] = None
     atoms: Optional[List[AtomicId]] = Field(None, title="atomic ids")
     """
     array of objects containing integer id each

src/py/mat3ra/esse/models/system/consistency_check.py

@@ -9,12 +9,6 @@
 from pydantic import BaseModel
 
 
-class Name(Enum):
-    default = "default"
-    atomsTooClose = "atomsTooClose"
-    atomsOverlap = "atomsOverlap"
-
-
 class Severity(Enum):
     info = "info"
     warning = "warning"
@@ -26,7 +20,7 @@ class ConsistencyCheck(BaseModel):
     """
     Key of the property of the entity on which the consistency check is performed in Mongo dot notation, e.g. 'basis.coordinates.1'
     """
-    name: Name
+    name: str
     """
     Name of the consistency check that is performed, which is listed in an enum.
     """