Interactive plotter

lobsterpy/cohp/describe.py

@@ -9,6 +9,7 @@
 from pathlib import Path
 
 from lobsterpy.plotting import PlainCohpPlotter
+from lobsterpy.plotting import InteractiveCohpPlotter
 
 
 class Description:
@@ -223,6 +224,7 @@ def plot_cohps(
             integrated (bool): if True, integrated COHPs will be shown
             sigma: Standard deviation of Gaussian broadening applied to
                 population data. If None, no broadening will be added.
+            title: sets the title of figure generated
             skip_show (bool): if True, the plot will not be shown.
 
         Returns:
@@ -268,6 +270,62 @@ def plot_cohps(
             if not save:
                 plot.close()
 
+    def plot_interactive_cohps(
+        self,
+        save_as_html=False,
+        filename=None,
+        ylim=None,
+        xlim=None,
+        integrated=False,
+        title="",
+        sigma=None,
+        skip_show=False,
+    ):
+        """
+        Will automatically generate interactive plots of the most relevant COHP
+
+        Args:
+            save_as_html (bool): will save the plot to a html file
+            filename (str/Path):
+            ylim (list of float): energy scale that is shown in plot (eV)
+            xlim (list of float): energy range for COHPs in eV
+            integrated (bool): if True, integrated COHPs will be shown
+            sigma: Standard deviation of Gaussian broadening applied to
+                population data. If None, no broadening will be added.
+            title : Title of the interactive plot
+            skip_show (bool): if True, the plot will not be shown.
+
+        Returns:
+            A plotly.graph_objects.Figure object.
+
+        """
+        cba_cohp_plot_data = {}  # Initialize dict to store plot data
+
+        set_cohps = self.analysis_object.set_cohps
+        set_labels_cohps = self.analysis_object.set_labels_cohps
+        set_inequivalent_cations = self.analysis_object.set_inequivalent_ions
+        structure = self.analysis_object.structure
+
+        for _iplot, (ication, labels, cohps) in enumerate(
+            zip(set_inequivalent_cations, set_labels_cohps, set_cohps)
+        ):
+            label_str = f"{str(structure[ication].specie)}{str(ication + 1)}: "
+            for label, cohp in zip(labels, cohps):
+                if label is not None:
+                    cba_cohp_plot_data[label_str + label] = cohp
+
+        ia = InteractiveCohpPlotter()
+        ia.add_cohps_from_plot_data(plot_data_dict=cba_cohp_plot_data)
+        plot = ia.get_plot(integrated=integrated, xlim=xlim, ylim=ylim, sigma=sigma)
+
+        plot.update_layout(title_text=title)
+        if save_as_html:
+            plot.write_html(filename, include_mathjax="cdn")
+        if not skip_show:
+            return plot.show()
+
+        return plot
+
     @staticmethod
     def _coordination_environment_to_text(ce):
         """