feat: expose parameters of VoronoiInterstitialGenerator

ZLI-afk · Jan 11, 2024 · 1c1339e · 1c1339e
1 parent 313f90b
commit 1c1339e
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Showing 2 changed files with 5 additions and 3 deletions.
diff --git a/apex/core/property/Interstitial.py b/apex/core/property/Interstitial.py
@@ -34,6 +34,8 @@ def __init__(self, parameter, inter_param=None):
                 self.insert_ele = parameter["insert_ele"]
                 parameter["lattice_type"] = parameter.get("lattice_type", None)
                 self.lattice_type = parameter["lattice_type"]
+                parameter["voronoi_param"] = parameter.get("voronoi_param", {})
+                self.voronoi_param = parameter["voronoi_param"]
             parameter["cal_type"] = parameter.get("cal_type", "relaxation")
             self.cal_type = parameter["cal_type"]
             default_cal_setting = {
@@ -221,7 +223,7 @@ def make_confs(self, path_to_work, path_to_equi, refine=False):
                     os.remove(self.insert_element_task)
 
                 for ii in self.insert_ele:
-                    pre_vds = VoronoiInterstitialGenerator()
+                    pre_vds = VoronoiInterstitialGenerator(**self.voronoi_param)
                     vds = pre_vds.generate(ss, [ii])
                     if self.structure_type in PREDEFINED_LIST:
                         pre_vds = InterstitialGenerator()

diff --git a/apex/reporter/property_report.py b/apex/reporter/property_report.py
@@ -502,8 +502,8 @@ def plotly_graph(res_data: dict, name: str, **kwargs) -> [list[go], go.layout]:
                 name='Band %02d' % (ii + 1),
                 legendgroup=name,
                 legendgrouptitle_text=name,
-                mode='lines+markers',
-                line=dict(color=kwargs["color"])
+                mode='lines',
+                line=dict(color=kwargs["color"], width=1.5)
             )
             traces.append(trace)