use implicit dict to .keys() conversion

slightly more readable

Author: janosh

crystal_toolkit/components/bandstructure.py

@@ -443,7 +443,7 @@ def get_bandstructure_traces(bs, path_convention, energy_window=(-6.0, 10.0)):
         }
 
         for entry_num in range(len(bs_data["ticks"]["label"])):
-            for key in str_replace.keys():
+            for key in str_replace:
                 if key in bs_data["ticks"]["label"][entry_num]:
                     bs_data["ticks"]["label"][entry_num] = bs_data["ticks"]["label"][
                         entry_num
@@ -519,7 +519,7 @@ def get_dos_traces(dos, dos_select, energy_window=(-6.0, 10.0)):
         dos_min = np.abs(dos.energies - dos.efermi - energy_window[0]).argmin()
 
         # TODO: pymatgen should have a property here
-        spin_polarized = len(dos.densities.keys()) == 2
+        spin_polarized = len(dos.densities) == 2
 
         if spin_polarized:
             # Add second spin data if available
@@ -580,7 +580,7 @@ def get_dos_traces(dos, dos_select, energy_window=(-6.0, 10.0)):
             "#e377c2",  # raspberry yogurt pink
         ]
 
-        for label in proj_data.keys():
+        for label in proj_data:
 
             if spin_polarized:
                 trace = {
@@ -691,7 +691,7 @@ def get_figure(
             ]
 
             # check the max of the second dos trace only if spin polarized
-            spin_polarized = len(dos.densities.keys()) == 2
+            spin_polarized = len(dos.densities) == 2
             if spin_polarized:
                 list_max.extend(
                     [

crystal_toolkit/components/localenv.py

@@ -75,8 +75,8 @@ def _get_local_order_parameters(structure_graph, n):
     # code from @nisse3000, moved here from graphs to avoid circular
     # import, also makes sense to have this as a general NN method
     cn = structure_graph.get_coordination_of_site(n)
-    if cn in [int(k_cn) for k_cn in cn_opt_params.keys()]:
-        names = [k for k in cn_opt_params[cn].keys()]
+    if cn in [int(k_cn) for k_cn in cn_opt_params]:
+        names = [k for k in cn_opt_params[cn]]
         types = []
         params = []
         for name in names:
@@ -645,7 +645,7 @@ def update_soap_similarities(struct, all_kwargs):
                 if mpid != "input"
             }
 
-            sorted_mpids = sorted(similarities.keys(), key=lambda x: -similarities[x])
+            sorted_mpids = sorted(similarities, key=lambda x: -similarities[x])
 
             print("Generating similarity graphs")
             # TODO: was much slower using px.imshow (see prev commit)

crystal_toolkit/components/search.py

@@ -197,7 +197,7 @@ def update_dropdown_options(results):
         def update_dropdown_value(results):
             if not results or "error" in results:
                 raise PreventUpdate
-            return list(results.keys())[0]
+            return list(results)[0]
 
         @app.callback(
             Output(self.id("dropdown-container"), "style"),

crystal_toolkit/components/structure.py

@@ -651,7 +651,7 @@ def _make_title(self, legend):
                     for part in formula_parts
                 ]
             except Exception:
-                formula_components = list(map(str, composition.keys()))
+                formula_components = list(map(str, composition))
 
         return H2(
             formula_components, id=self.id("title"), style={"display": "inline-block"}
@@ -666,9 +666,7 @@ def _make_bonding_algorithm_custom_cuffoff_data(graph):
         species = set(
             map(
                 str,
-                chain.from_iterable(
-                    [list(c.keys()) for c in struct_or_mol.species_and_occu]
-                ),
+                chain.from_iterable([list(c) for c in struct_or_mol.species_and_occu]),
             )
         )
         rows = [
@@ -879,7 +877,7 @@ def _sub_layouts(self):
                     data=self.initial_data["scene"],
                     settings=self.initial_scene_settings,
                     sceneSize="100%",
-                    fileOptions=list(self.download_options["Structure"].keys()),
+                    fileOptions=list(self.download_options["Structure"]),
                     showControls=self.show_controls,
                     showExpandButton=self.show_expand_button,
                     showImageButton=self.show_image_button,
@@ -964,7 +962,7 @@ def _preprocess_input_to_graph(
         else:
             if (
                 bonding_strategy
-                not in StructureMoleculeComponent.available_bonding_strategies.keys()
+                not in StructureMoleculeComponent.available_bonding_strategies
             ):
                 valid_subclasses = ", ".join(
                     StructureMoleculeComponent.available_bonding_strategies

crystal_toolkit/components/transformations/grainboundary.py

@@ -220,7 +220,7 @@ def _get_sigmas_options_and_ratio(structure, rotation_axis):
             8: "₈",
             9: "₉",
         }
-        for sigma in sorted(sigmas.keys()):
+        for sigma in sorted(sigmas):
             sigma_label = f"Σ{sigma}"
             for k, v in subscript_unicode_map.items():
                 sigma_label = sigma_label.replace(str(k), v)

crystal_toolkit/core/legend.py

@@ -153,9 +153,7 @@ def generate_accessible_color_scheme_on_the_fly(
         color_scheme = {}
 
         all_species = set(
-            chain.from_iterable(
-                comp.keys() for comp in site_collection.species_and_occu
-            )
+            chain.from_iterable(comp for comp in site_collection.species_and_occu)
         )
         all_elements = sorted(sp.as_dict()["element"] for sp in all_species)
 
@@ -194,7 +192,7 @@ def generate_accessible_color_scheme_on_the_fly(
             )
 
         preferred_elements_present = [
-            el for el in all_elements if el in preferred_colors.keys()
+            el for el in all_elements if el in preferred_colors
         ]
 
         colors_assigned = []
@@ -203,9 +201,7 @@ def generate_accessible_color_scheme_on_the_fly(
                 color_scheme[el] = palette[preferred_colors[el]]
                 colors_assigned.append(preferred_colors[el])
 
-        remaining_elements = [
-            el for el in all_elements if el not in color_scheme.keys()
-        ]
+        remaining_elements = [el for el in all_elements if el not in color_scheme]
         remaining_palette = [
             c for idx, c in enumerate(palette) if idx not in colors_assigned
         ]

crystal_toolkit/core/mpcomponent.py

@@ -348,7 +348,7 @@ def all_stores(self) -> list[str]:
         """
         :return: List of all store ids generated by this component
         """
-        return list(self._stores.keys())
+        return list(self._stores)
 
     @property
     def all_ids(self) -> list[str]:
@@ -369,9 +369,7 @@ def __str__(self):
             [f"* {component_id}  " for component_id in sorted(self.all_ids)]
         )
         stores = "\n".join([f"* {store}  " for store in sorted(self.all_stores)])
-        layouts = "\n".join(
-            [f"* {layout}  " for layout in sorted(self._sub_layouts.keys())]
-        )
+        layouts = "\n".join([f"* {layout}  " for layout in sorted(self._sub_layouts)])
 
         return f"""{self.id()}<{type(self).__name__}>  \n
 IDs:  \n{ids}  \n
@@ -498,9 +496,9 @@ def matrix_element(idx, value=0):
         # arrange the input boxes in two dimensions (rows, columns)
         matrix_div_contents = []
         print("matrix_contents", matrix_contents)
-        for column_idx in sorted(matrix_contents.keys()):
+        for column_idx in sorted(matrix_contents):
             row = []
-            for row_idx in sorted(matrix_contents[column_idx].keys()):
+            for row_idx in sorted(matrix_contents[column_idx]):
                 row.append(matrix_contents[column_idx][row_idx])
             matrix_div_contents.append(html.Div(row))
 

crystal_toolkit/core/tests/test_legend.py

@@ -18,13 +18,13 @@ def setup_method(self, method):
         )
 
         self.site0 = self.struct[0]
-        self.sp0 = list(self.site0.species.keys())[0]
+        self.sp0 = list(self.site0.species)[0]
 
         self.site1 = self.struct[1]
-        self.sp1 = list(self.site1.species.keys())[0]
+        self.sp1 = list(self.site1.species)[0]
 
         self.site2 = self.struct[2]
-        self.sp2 = list(self.site2.species.keys())[0]
+        self.sp2 = list(self.site2.species)[0]
 
         self.struct_disordered = Structure(
             Lattice.cubic(5),
@@ -34,8 +34,8 @@ def setup_method(self, method):
         )
 
         self.site_d = self.struct_disordered[2]
-        self.site_d_sp0 = list(self.site_d.species.keys())[0]
-        self.site_d_sp1 = list(self.site_d.species.keys())[1]
+        self.site_d_sp0 = list(self.site_d.species)[0]
+        self.site_d_sp1 = list(self.site_d.species)[1]
 
         self.struct_manual = Structure(
             Lattice.cubic(5),

crystal_toolkit/helpers/asymptote_renderer.py

@@ -350,7 +350,7 @@ def filter_data(scene_data, fstream):
     """
     Recursively traverse the scene_data dictionary to find objects to draw
     """
-    if "type" in scene_data.keys():
+    if "type" in scene_data:
         asy_write_data(scene_data, fstream)
     else:
         for itr in scene_data["contents"]:

crystal_toolkit/helpers/povray_renderer.py

@@ -196,7 +196,7 @@ def filter_data(scene_data, fstream):
     """
     Recursively traverse the scene_data dictionary to find objects to draw
     """
-    if "type" in scene_data.keys():
+    if "type" in scene_data:
         pov_write_data(scene_data, fstream)
     else:
         for itr in scene_data["contents"]: