chore: turn angle-matrix into map

Exabyte-io · Nov 6, 2024 · 356e51b · 356e51b
1 parent 69acbd4
commit 356e51b
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Showing 2 changed files with 46 additions and 45 deletions.
diff --git a/src/py/mat3ra/made/tools/build/interface/builders.py b/src/py/mat3ra/made/tools/build/interface/builders.py
@@ -302,10 +302,10 @@ def __get_initial_guess_for_max_int(self, film, target_angle: float) -> int:
             int: The maximum integer for the transformation matrices.
         """
         if film.lattice.type == "HEX":
-            tabulated_matrix_match_for_given_angle = min(
-                angle_to_supercell_matrix_values_for_hex, key=lambda x: abs(x[0] - target_angle)
+            xy_supercell_matrix_for_closest_angle = min(
+                angle_to_supercell_matrix_values_for_hex, key=lambda x: abs(float(x["angle"]) - target_angle)
             )
-            return max(tabulated_matrix_match_for_given_angle[1])
+            return max(**xy_supercell_matrix_for_closest_angle["xy_supercell"])
         return 1
 
     def __generate_commensurate_lattices(

diff --git a/src/py/mat3ra/made/tools/build/interface/enums.py b/src/py/mat3ra/made/tools/build/interface/enums.py
@@ -13,47 +13,48 @@ class SupercellTypes(str, Enum):
 
 
 # Tabulation from https://github.com/qtm-iisc/Twister/blob/474156a2a59f2b9d59350b32de56864a9496f848/examples/Homobilayer_hex/hex.table
+# Maps twist angle to supercell matrix values for homo-material hexagonal supercells bilayer
 angle_to_supercell_matrix_values_for_hex = [
-    (60.0, [0, 1, -1, 1]),
-    (21.7867892983, [1, 2, -2, 3]),
-    (13.1735511073, [2, 3, -3, 5]),
-    (9.4300079079, [3, 4, -4, 7]),
-    (7.34099301663, [4, 5, -5, 9]),
-    (6.00898319777, [5, 6, -6, 11]),
-    (5.08584780812, [6, 7, -7, 13]),
-    (4.40845500794, [7, 8, -8, 15]),
-    (3.89023816901, [8, 9, -9, 17]),
-    (3.48100608947, [9, 10, -10, 19]),
-    (3.14965742639, [10, 11, -11, 21]),
-    (2.87589463363, [11, 12, -12, 23]),
-    (2.64590838119, [12, 13, -13, 25]),
-    (2.44997727662, [13, 14, -14, 27]),
-    (2.28105960973, [14, 15, -15, 29]),
-    (2.1339296666, [15, 16, -16, 31]),
-    (2.00462783069, [16, 17, -17, 33]),
-    (1.89009907347, [17, 18, -18, 35]),
-    (1.78794861038, [18, 19, -19, 37]),
-    (1.69627269352, [19, 20, -20, 39]),
-    (1.61353890116, [20, 21, -21, 41]),
-    (1.53849981837, [21, 22, -22, 43]),
-    (1.47012972578, [22, 23, -23, 45]),
-    (1.40757744635, [23, 24, -24, 47]),
-    (1.35013073557, [24, 25, -25, 49]),
-    (1.29718904759, [25, 26, -26, 51]),
-    (1.24824246553, [26, 27, -27, 53]),
-    (1.20285522748, [27, 28, -28, 55]),
-    (1.16065271985, [28, 29, -29, 57]),
-    (1.12131111538, [29, 30, -30, 59]),
-    (1.08454904916, [30, 31, -31, 61]),
-    (1.05012087979, [31, 32, -32, 63]),
-    (1.01781119445, [32, 33, -33, 65]),
-    (0.987430297814, [33, 34, -34, 67]),
-    (0.958810485525, [34, 35, -35, 69]),
-    (0.931802947264, [35, 36, -36, 71]),
-    (0.906275178895, [36, 37, -37, 73]),
-    (0.882108808579, [37, 38, -38, 75]),
-    (0.859197761631, [38, 39, -39, 77]),
-    (0.8374467041, [39, 40, -40, 79]),
-    (0.816769716893, [40, 41, -41, 81]),
-    (0.0, [1, 0, 0, 1]),
+    {"angle": 60.0, "xy_supercell": [[0, 1], [-1, 1]]},
+    {"angle": 21.7867892983, "xy_supercell": [[1, 2], [-2, 3]]},
+    {"angle": 13.1735511073, "xy_supercell": [[2, 3], [-3, 5]]},
+    {"angle": 9.4300079079, "xy_supercell": [[3, 4], [-4, 7]]},
+    {"angle": 7.34099301663, "xy_supercell": [[4, 5], [-5, 9]]},
+    {"angle": 6.00898319777, "xy_supercell": [[5, 6], [-6, 11]]},
+    {"angle": 5.08584780812, "xy_supercell": [[6, 7], [-7, 13]]},
+    {"angle": 4.40845500794, "xy_supercell": [[7, 8], [-8, 15]]},
+    {"angle": 3.89023816901, "xy_supercell": [[8, 9], [-9, 17]]},
+    {"angle": 3.48100608947, "xy_supercell": [[9, 10], [-10, 19]]},
+    {"angle": 3.14965742639, "xy_supercell": [[10, 11], [-11, 21]]},
+    {"angle": 2.87589463363, "xy_supercell": [[11, 12], [-12, 23]]},
+    {"angle": 2.64590838119, "xy_supercell": [[12, 13], [-13, 25]]},
+    {"angle": 2.44997727662, "xy_supercell": [[13, 14], [-14, 27]]},
+    {"angle": 2.28105960973, "xy_supercell": [[14, 15], [-15, 29]]},
+    {"angle": 2.1339296666, "xy_supercell": [[15, 16], [-16, 31]]},
+    {"angle": 2.00462783069, "xy_supercell": [[16, 17], [-17, 33]]},
+    {"angle": 1.89009907347, "xy_supercell": [[17, 18], [-18, 35]]},
+    {"angle": 1.78794861038, "xy_supercell": [[18, 19], [-19, 37]]},
+    {"angle": 1.69627269352, "xy_supercell": [[19, 20], [-20, 39]]},
+    {"angle": 1.61353890116, "xy_supercell": [[20, 21], [-21, 41]]},
+    {"angle": 1.53849981837, "xy_supercell": [[21, 22], [-22, 43]]},
+    {"angle": 1.47012972578, "xy_supercell": [[22, 23], [-23, 45]]},
+    {"angle": 1.40757744635, "xy_supercell": [[23, 24], [-24, 47]]},
+    {"angle": 1.35013073557, "xy_supercell": [[24, 25], [-25, 49]]},
+    {"angle": 1.29718904759, "xy_supercell": [[25, 26], [-26, 51]]},
+    {"angle": 1.24824246553, "xy_supercell": [[26, 27], [-27, 53]]},
+    {"angle": 1.20285522748, "xy_supercell": [[27, 28], [-28, 55]]},
+    {"angle": 1.16065271985, "xy_supercell": [[28, 29], [-29, 57]]},
+    {"angle": 1.12131111538, "xy_supercell": [[29, 30], [-30, 59]]},
+    {"angle": 1.08454904916, "xy_supercell": [[30, 31], [-31, 61]]},
+    {"angle": 1.05012087979, "xy_supercell": [[31, 32], [-32, 63]]},
+    {"angle": 1.01781119445, "xy_supercell": [[32, 33], [-33, 65]]},
+    {"angle": 0.987430297814, "xy_supercell": [[33, 34], [-34, 67]]},
+    {"angle": 0.958810485525, "xy_supercell": [[34, 35], [-35, 69]]},
+    {"angle": 0.931802947264, "xy_supercell": [[35, 36], [-36, 71]]},
+    {"angle": 0.906275178895, "xy_supercell": [[36, 37], [-37, 73]]},
+    {"angle": 0.882108808579, "xy_supercell": [[37, 38], [-38, 75]]},
+    {"angle": 0.859197761631, "xy_supercell": [[38, 39], [-39, 77]]},
+    {"angle": 0.8374467041, "xy_supercell": [[39, 40], [-40, 79]]},
+    {"angle": 0.816769716893, "xy_supercell": [[40, 41], [-41, 81]]},
+    {"angle": 0.0, "xy_supercell": [[1, 0], [0, 1]]},
 ]