delete doc str empty :return:

Author: janosh

pymatgen/analysis/bond_dissociation.py

@@ -115,7 +115,6 @@ def fragment_and_process(self, bonds):
         Fragment and process bonds.
 
         :param bonds: Bonds to process.
-        :return:
         """
         # Try to split the principle:
         try:
@@ -269,7 +268,6 @@ def filter_fragment_entries(self, fragment_entries):
         Filter the fragment entries.
 
         :param fragment_entries:
-        :return:
         """
         self.filtered_entries = []
         for entry in fragment_entries:
@@ -331,7 +329,6 @@ def build_new_entry(self, frags, bonds):
 
         :param frags:
         :param bonds:
-        :return:
         """
         specie = nx.get_node_attributes(self.mol_graph.graph, "specie")
         if len(frags) == 2:

pymatgen/analysis/chemenv/coordination_environments/chemenv_strategies.py

@@ -440,7 +440,6 @@ def __eq__(self, other: object) -> bool:
         """
         Equality method that should be implemented for any strategy
         :param other: strategy to be compared with the current one
-        :return:
         """
         raise NotImplementedError
 
@@ -1343,7 +1342,6 @@ def from_dict(cls, dd):
         """
         From dict
         :param dd:
-        :return:
         """
         return cls(aa=dd["aa"])
 
@@ -1903,7 +1901,6 @@ def delta_cn_specifics(
     def as_dict(self):
         """
         MSONable dict.
-        :return:
         """
         return {
             "@module": type(self).__module__,
@@ -2206,7 +2203,6 @@ def rectangle_crosses_area(self, d1, d2, a1, a2):
         :param d2: upper d.
         :param a1: lower a.
         :param a2: upper a.
-        :return:
         """
         # Case 1
         if d1 <= self.dmin and d2 <= self.dmin:

pymatgen/analysis/chemenv/coordination_environments/coordination_geometry_finder.py

@@ -192,7 +192,6 @@ def from_cg(cls, cg, centering_type="standard", include_central_site_in_centroid
         :param cg:
         :param centering_type:
         :param include_central_site_in_centroid:
-        :return:
         """
         central_site = cg.get_central_site()
         bare_coords = [np.array(pt, np.float_) for pt in cg.points]
@@ -206,7 +205,6 @@ def from_cg(cls, cg, centering_type="standard", include_central_site_in_centroid
     def points_wcs_csc(self, permutation=None):
         """
         :param permutation:
-        :return:
         """
         if permutation is None:
             return self._points_wcs_csc
@@ -215,7 +213,6 @@ def points_wcs_csc(self, permutation=None):
     def points_wocs_csc(self, permutation=None):
         """
         :param permutation:
-        :return:
         """
         if permutation is None:
             return self._points_wocs_csc
@@ -224,7 +221,6 @@ def points_wocs_csc(self, permutation=None):
     def points_wcs_ctwcc(self, permutation=None):
         """
         :param permutation:
-        :return:
         """
         if permutation is None:
             return self._points_wcs_ctwcc
@@ -238,7 +234,6 @@ def points_wcs_ctwcc(self, permutation=None):
     def points_wocs_ctwcc(self, permutation=None):
         """
         :param permutation:
-        :return:
         """
         if permutation is None:
             return self._points_wocs_ctwcc
@@ -247,7 +242,6 @@ def points_wocs_ctwcc(self, permutation=None):
     def points_wcs_ctwocc(self, permutation=None):
         """
         :param permutation:
-        :return:
         """
         if permutation is None:
             return self._points_wcs_ctwocc
@@ -261,7 +255,6 @@ def points_wcs_ctwocc(self, permutation=None):
     def points_wocs_ctwocc(self, permutation=None):
         """
         :param permutation:
-        :return:
         """
         if permutation is None:
             return self._points_wocs_ctwocc
@@ -508,7 +501,6 @@ def compute_coordination_environments(
         :param strategy:
         :param valences:
         :param initial_structure_environments:
-        :return:
         """
         self.setup_structure(structure=structure)
         if valences == "bond-valence-analysis":
@@ -867,7 +859,6 @@ def update_nb_set_environments(self, se, isite, cn, inb_set, nb_set, recompute=F
         :param nb_set:
         :param recompute:
         :param optimization:
-        :return:
         """
         ce = se.get_coordination_environments(isite=isite, cn=cn, nb_set=nb_set)
         if ce is not None and not recompute:
@@ -961,7 +952,6 @@ def setup_test_perfect_environment(
         :param random_rotation:
         :param random_scale:
         :param points:
-        :return:
         """
         if symbol_type == "IUPAC":
             cg = self.allcg.get_geometry_from_IUPAC_symbol(symbol)

pymatgen/analysis/chemenv/utils/chemenv_config.py

@@ -86,7 +86,6 @@ def setup(self):
     def has_materials_project_access(self):
         """
         Whether MP access is enabled.
-        :return:
         """
         return self.materials_project_configuration is not None
 

pymatgen/analysis/chemenv/utils/defs_utils.py

@@ -73,7 +73,6 @@ def check_condition(self, condition, structure: Structure, parameters):
         :param condition:
         :param structure:
         :param parameters:
-        :return:
         """
         if condition == self.NONE:
             return True

pymatgen/analysis/chemenv/utils/graph_utils.py

@@ -18,7 +18,6 @@ def get_delta(node1, node2, edge_data):
     :param node1:
     :param node2:
     :param edge_data:
-    :return:
     """
     if node1.isite == edge_data["start"] and node2.isite == edge_data["end"]:
         return np.array(edge_data["delta"], dtype=int)
@@ -35,7 +34,6 @@ def get_all_simple_paths_edges(graph, source, target, cutoff=None, data=True):
     :param target:
     :param cutoff:
     :param data:
-    :return:
     """
     edge_paths = []
     if not graph.is_multigraph():
@@ -187,7 +185,6 @@ def _is_valid(self, check_strict_ordering=False):
     def validate(self, check_strict_ordering=False):
         """
         :param check_strict_ordering:
-        :return:
         """
         is_valid, msg = self._is_valid(check_strict_ordering=check_strict_ordering)
         if not is_valid:
@@ -301,7 +298,6 @@ def from_dict(cls, d, validate=False):
         Serialize from dict.
         :param d:
         :param validate:
-        :return:
         """
         return cls(nodes=d["nodes"], validate=validate, ordered=d["ordered"])
 
@@ -377,7 +373,6 @@ def _is_valid(self, check_strict_ordering=False):
     def validate(self, check_strict_ordering=False):
         """
         :param check_strict_ordering:
-        :return:
         """
         is_valid, msg = self._is_valid(check_strict_ordering=check_strict_ordering)
         if not is_valid:
@@ -468,7 +463,6 @@ def __eq__(self, other: object) -> bool:
 def get_all_elementary_cycles(graph):
     """
     :param graph:
-    :return:
     """
     if not isinstance(graph, nx.Graph):
         raise TypeError("graph should be a networkx Graph object.")

pymatgen/analysis/chemenv/utils/math_utils.py

@@ -60,7 +60,6 @@ def _factor_generator(n):
     """
     From a given natural integer, returns the prime factors and their multiplicity
     :param n: Natural integer
-    :return:
     """
     p = prime_factors(n)
     factors = {}
@@ -95,7 +94,6 @@ def get_center_of_arc(p1, p2, radius):
     :param p1:
     :param p2:
     :param radius:
-    :return:
     """
     dx = p2[0] - p1[0]
     dy = p2[1] - p1[1]
@@ -112,7 +110,6 @@ def get_center_of_arc(p1, p2, radius):
 def get_linearly_independent_vectors(vectors_list):
     """
     :param vectors_list:
-    :return:
     """
     independent_vectors_list = []
     for vector in vectors_list:
@@ -139,7 +136,6 @@ def scale_and_clamp(xx, edge0, edge1, clamp0, clamp1):
     :param edge1:
     :param clamp0:
     :param clamp1:
-    :return:
     """
     return np.clip((xx - edge0) / (edge1 - edge0), clamp0, clamp1)
 
@@ -150,7 +146,6 @@ def normal_cdf_step(xx, mean, scale):
     :param xx:
     :param mean:
     :param scale:
-    :return:
     """
     return 0.5 * (1.0 + erf((xx - mean) / (np.sqrt(2.0) * scale)))
 
@@ -167,7 +162,6 @@ def smoothstep(xx, edges=None, inverse=False):
     :param xx:
     :param edges:
     :param inverse:
-    :return:
     """
     if edges is None:
         xx_clipped = np.clip(xx, 0.0, 1.0)
@@ -183,7 +177,6 @@ def smootherstep(xx, edges=None, inverse=False):
     :param xx:
     :param edges:
     :param inverse:
-    :return:
     """
     if edges is None:
         xx_clipped = np.clip(xx, 0.0, 1.0)
@@ -199,7 +192,6 @@ def cosinus_step(xx, edges=None, inverse=False):
     :param xx:
     :param edges:
     :param inverse:
-    :return:
     """
     if edges is None:
         xx_clipped = np.clip(xx, 0.0, 1.0)
@@ -215,7 +207,6 @@ def power3_step(xx, edges=None, inverse=False):
     :param xx:
     :param edges:
     :param inverse:
-    :return:
     """
     return smoothstep(xx, edges=edges, inverse=inverse)
 
@@ -226,7 +217,6 @@ def powern_parts_step(xx, edges=None, inverse=False, nn=2):
     :param edges:
     :param inverse:
     :param nn:
-    :return:
     """
     if edges is None:
         aa = np.power(0.5, 1.0 - nn)
@@ -268,7 +258,6 @@ def powern_decreasing(xx, edges=None, nn=2):
     :param xx:
     :param edges:
     :param nn:
-    :return:
     """
     if edges is None:
         aa = 1.0 / np.power(-1.0, nn)
@@ -282,7 +271,6 @@ def power2_decreasing_exp(xx, edges=None, alpha=1.0):
     :param xx:
     :param edges:
     :param alpha:
-    :return:
     """
     if edges is None:
         aa = 1.0 / np.power(-1.0, 2)
@@ -301,7 +289,6 @@ def power2_tangent_decreasing(xx, edges=None, prefactor=None):
     :param xx:
     :param edges:
     :param prefactor:
-    :return:
     """
     if edges is None:
         aa = 1.0 / np.power(-1.0, 2) if prefactor is None else prefactor
@@ -316,7 +303,6 @@ def power2_inverse_decreasing(xx, edges=None, prefactor=None):
     :param xx:
     :param edges:
     :param prefactor:
-    :return:
     """
     if edges is None:
         aa = 1.0 / np.power(-1.0, 2) if prefactor is None else prefactor
@@ -331,7 +317,6 @@ def power2_inverse_power2_decreasing(xx, edges=None, prefactor=None):
     :param xx:
     :param edges:
     :param prefactor:
-    :return:
     """
     if edges is None:
         aa = 1.0 / np.power(-1.0, 2) if prefactor is None else prefactor
@@ -350,7 +335,6 @@ def power2_inverse_powern_decreasing(xx, edges=None, prefactor=None, powern=2.0)
     :param edges:
     :param prefactor:
     :param powern:
-    :return:
     """
     if edges is None:
         aa = 1.0 / np.power(-1.0, 2) if prefactor is None else prefactor

pymatgen/analysis/chemenv/utils/scripts_utils.py

@@ -75,7 +75,6 @@ def draw_cg(
     :param perfect_radius:
     :param show_distorted:
     :param faces_color_override:
-    :return:
     """
     if show_perfect:
         if csm_info is None:
@@ -160,7 +159,6 @@ def visualize(cg, zoom=None, vis=None, myfactor=1.0, view_index=True, faces_colo
     :param myfactor:
     :param view_index:
     :param faces_color_override:
-    :return:
     """
     if vis is None:
         vis = StructureVis(show_polyhedron=False, show_unit_cell=False)
@@ -194,7 +192,6 @@ def compute_environments(chemenv_configuration):
     Compute the environments.
 
     :param chemenv_configuration:
-    :return:
     """
     string_sources = {
         "cif": {"string": "a Cif file", "regexp": r".*\.cif$"},