Fix ruff N806 (#3394)

* fix typo

* snake_case names

* release.yml add 📦 Dependencies and 🏷️ Type Hints

.github/release.yml

@@ -24,5 +24,9 @@ changelog:
       labels: [security]
     - title: 🏥 Package Health
       labels: [pkg]
+    - title: 📦 Dependencies
+      labels: [dependencies, outdated]
+    - title: 🏷️ Type Hints
+      labels: [types]
     - title: 🤷‍♂️ Other Changes
       labels: ["*"]

pymatgen/analysis/chempot_diagram.py

@@ -281,14 +281,14 @@ def _get_2d_plot(self, elements: list[Element], label_stable: bool | None, eleme
                     pts_2d[:, idx] = np.where(np.isclose(col, self.default_min_limit), new_lim, col)
 
             entry = self.entry_dict[formula]
-            ann_formula = formula
+            anno_formula = formula
             if hasattr(entry, "original_entry"):
-                ann_formula = entry.original_entry.composition.reduced_formula
+                anno_formula = entry.original_entry.composition.reduced_formula
 
             center = pts_2d.mean(axis=0)
             normal = get_2d_orthonormal_vector(pts_2d)
             ann_loc = center + 0.25 * normal  # offset annotation location by arb. amount
-            annotation = self._get_annotation(ann_loc, ann_formula)
+            annotation = self._get_annotation(ann_loc, anno_formula)
             annotations.append(annotation)
 
             draw_domains[formula] = pts_2d
@@ -353,11 +353,11 @@ def _get_3d_plot(
 
             simplexes, ann_loc = self._get_3d_domain_simplexes_and_ann_loc(pts_3d)
 
-            ann_formula = formula
+            anno_formula = formula
             if hasattr(entry, "original_entry"):
-                ann_formula = entry.original_entry.composition.reduced_formula
+                anno_formula = entry.original_entry.composition.reduced_formula
 
-            annotation = self._get_annotation(ann_loc, ann_formula)
+            annotation = self._get_annotation(ann_loc, anno_formula)
             annotations.append(annotation)
 
             domain_simplexes[formula] = simplexes

pymatgen/analysis/molecule_matcher.py

@@ -64,7 +64,7 @@ def uniform_labels(self, mol1, mol2):
             of the two molecules. The value of each element is the original
             atom index in mol1 or mol2 of the current atom in uniform atom
             order.
-            (None, None) if unform atom is not available.
+            (None, None) if uniform atom is not available.
         """
 
     @abc.abstractmethod
@@ -81,10 +81,10 @@ def get_molecule_hash(self, mol):
         """
 
     @classmethod
-    def from_dict(cls, d):
+    def from_dict(cls, dct):
         """
         Args:
-            d (dict): Dict representation.
+            dct (dict): Dict representation.
 
         Returns:
             AbstractMolAtomMapper
@@ -95,12 +95,12 @@ def from_dict(cls, d):
                 f"pymatgen.analysis.{trans_modules}",
                 globals(),
                 locals(),
-                [d["@class"]],
+                [dct["@class"]],
                 level,
             )
-            if hasattr(mod, d["@class"]):
-                class_proxy = getattr(mod, d["@class"])
-                return class_proxy.from_dict(d)
+            if hasattr(mod, dct["@class"]):
+                class_proxy = getattr(mod, dct["@class"])
+                return class_proxy.from_dict(dct)
         raise ValueError("Invalid Comparator dict")
 
 
@@ -124,7 +124,7 @@ def uniform_labels(self, mol1, mol2):
             of the two molecules. The value of each element is the original
             atom index in mol1 or mol2 of the current atom in uniform atom
             order.
-            (None, None) if unform atom is not available.
+            (None, None) if uniform atom is not available.
         """
         ob_mol1 = BabelMolAdaptor(mol1).openbabel_mol
         ob_mol2 = BabelMolAdaptor(mol2).openbabel_mol

pymatgen/core/periodic_table.py

@@ -631,12 +631,7 @@ def is_noble_gas(self) -> bool:
     @property
     def is_transition_metal(self) -> bool:
         """True if element is a transition metal."""
-        ns = list(range(21, 31))
-        ns.extend(list(range(39, 49)))
-        ns.append(57)
-        ns.extend(list(range(72, 81)))
-        ns.append(89)
-        ns.extend(list(range(104, 113)))
+        ns = (*range(21, 31), *range(39, 49), 57, *range(72, 81), 89, *range(104, 113))
         return self.Z in ns
 
     @property

pymatgen/electronic_structure/cohp.py

@@ -63,28 +63,28 @@ def __init__(self, efermi, energies, cohp, are_coops=False, are_cobis=False, ico
     def __repr__(self):
         """Returns a string that can be easily plotted (e.g. using gnuplot)."""
         if self.are_coops:
-            cohpstring = "COOP"
+            cohp_str = "COOP"
         elif self.are_cobis:
-            cohpstring = "COBI"
+            cohp_str = "COBI"
         else:
-            cohpstring = "COHP"
-        header = ["Energy", cohpstring + "Up"]
+            cohp_str = "COHP"
+        header = ["Energy", cohp_str + "Up"]
         data = [self.energies, self.cohp[Spin.up]]
         if Spin.down in self.cohp:
-            header.append(cohpstring + "Down")
+            header.append(cohp_str + "Down")
             data.append(self.cohp[Spin.down])
         if self.icohp:
-            header.append("I" + cohpstring + "Up")
+            header.append("I" + cohp_str + "Up")
             data.append(self.icohp[Spin.up])
             if Spin.down in self.cohp:
-                header.append("I" + cohpstring + "Down")
+                header.append("I" + cohp_str + "Down")
                 data.append(self.icohp[Spin.down])
-        formatheader = "#" + " ".join("{:15s}" for __ in header)
-        formatdata = " ".join("{:.5f}" for __ in header)
-        stringarray = [formatheader.format(*header)]
-        for i, __ in enumerate(self.energies):
-            stringarray.append(formatdata.format(*(d[i] for d in data)))
-        return "\n".join(stringarray)
+        format_header = "#" + " ".join("{:15s}" for __ in header)
+        format_data = " ".join("{:.5f}" for __ in header)
+        str_arr = [format_header.format(*header)]
+        for idx in range(len(self.energies)):
+            str_arr.append(format_data.format(*(d[idx] for d in data)))
+        return "\n".join(str_arr)
 
     def as_dict(self):
         """JSON-serializable dict representation of COHP."""