Bandstructure path name changes and Kpoint from_dict

pymatgen/electronic_structure/bandstructure.py

@@ -137,6 +137,25 @@ def as_dict(self):
             "@class": self.__class__.__name__,
         }
 
+    @classmethod
+    def from_dict(cls, d):
+        """
+        Create from dict.
+
+        Args:
+            A dict with all data for a kpoint object.
+
+        Returns:
+            A Kpoint object
+        """
+
+        return cls(
+            coords=d["fcoords"],
+            lattice=Lattice.from_dict(d["lattice"]),
+            coords_are_cartesian=False,
+            label=d["label"],
+        )
+
 
 class BandStructure:
     """

pymatgen/electronic_structure/tests/test_bandstructure.py

@@ -51,6 +51,24 @@ def test_as_dict(self):
         self.assertListEqual(self.kpoint.as_dict()["fcoords"], [0.1, 0.4, -0.5])
         self.assertListEqual(self.kpoint.as_dict()["ccoords"], [1.0, 4.0, -5.0])
 
+    def test_from_dict(self):
+
+        d = self.kpoint.as_dict()
+
+        kpoint = Kpoint.from_dict(d)
+
+        self.assertEqual(kpoint.frac_coords[0], 0.1)
+        self.assertEqual(kpoint.frac_coords[1], 0.4)
+        self.assertEqual(kpoint.frac_coords[2], -0.5)
+        self.assertEqual(kpoint.a, 0.1)
+        self.assertEqual(kpoint.b, 0.4)
+        self.assertEqual(kpoint.c, -0.5)
+        self.assertEqual(kpoint.lattice, Lattice.cubic(10.0))
+        self.assertEqual(kpoint.cart_coords[0], 1.0)
+        self.assertEqual(kpoint.cart_coords[1], 4.0)
+        self.assertEqual(kpoint.cart_coords[2], -5.0)
+        self.assertEqual(kpoint.label, "X")
+
 
 class BandStructureSymmLine_test(PymatgenTest):
     def setUp(self):

pymatgen/symmetry/bandstructure.py

@@ -52,7 +52,7 @@ def __init__(
         structure,
         has_magmoms=False,
         magmom_axis=None,
-        path_type="sc",
+        path_type="setyawan_curtarolo",
         symprec=0.01,
         angle_tolerance=5,
         atol=1e-5,
@@ -71,14 +71,14 @@ def __init__(
                 should point. If all magnetic moments are provided as
                 vectors then this argument is not used.
             path_type (string): Chooses which convention to use to generate
-                the high symmetry path. Options are: 'sc', 'hin', 'lm' for the
-                Setyawan & Curtarolo, Hinuma et al., and  Latimer & Munro conventions.
-                Choosing 'all' will generate one path with points from all three
-                conventions. Equivalent labels between each will also be generated.
-                Order will always be Latimer & Munro, Setyawan & Curtarolo, and Hinuma et al.
-                Lengths for each of the paths will also be generated and output
-                as a list. Note for 'all' the user will have to alter the labels on
-                their own for plotting.
+                the high symmetry path. Options are: 'setyawan_curtarolo', 'hinuma',
+                'latimer_munro' for the Setyawan & Curtarolo, Hinuma et al., and
+                Latimer & Munro conventions. Choosing 'all' will generate one path
+                with points from all three conventions. Equivalent labels between
+                each will also be generated. Order will always be Latimer & Munro,
+                Setyawan & Curtarolo, and Hinuma et al. Lengths for each of the paths
+                will also be generated and output as a list. Note for 'all' the user
+                will have to alter the labels on their own for plotting.
             symprec (float): Tolerance for symmetry finding
             angle_tolerance (float): Angle tolerance for symmetry finding.
             atol (float): Absolute tolerance used to determine symmetric
@@ -95,11 +95,11 @@ def __init__(
 
         if path_type != "all":
 
-            if path_type == "lm":
+            if path_type == "latimer_munro":
                 self._kpath = self._get_lm_kpath(has_magmoms, magmom_axis, symprec, angle_tolerance, atol).kpath
-            elif path_type == "sc":
+            elif path_type == "setyawan_curtarolo":
                 self._kpath = self._get_sc_kpath(symprec, angle_tolerance, atol).kpath
-            elif path_type == "hin":
+            elif path_type == "hinuma":
                 hin_dat = self._get_hin_kpath(symprec, angle_tolerance, atol, not has_magmoms)
                 self._kpath = hin_dat.kpath
                 self._hin_tmat = hin_dat._tmat
@@ -248,8 +248,10 @@ def _get_klabels(self, lm_bs, sc_bs, hin_bs, rpg):
 
         n_op = len(rpg)
 
-        pairs = itertools.permutations([{"sc": sc_path}, {"lm": lm_path}, {"hin": hin_path}], r=2)
-        labels = {"sc": {}, "lm": {}, "hin": {}}
+        pairs = itertools.permutations(
+            [{"setyawan_curtarolo": sc_path}, {"latimer_munro": lm_path}, {"hinuma": hin_path}], r=2
+        )
+        labels = {"setyawan_curtarolo": {}, "latimer_munro": {}, "hinuma": {}}
 
         for (a, b) in pairs:
             [(a_type, a_path)] = list(a.items())