Fixes battery plot labels (#117)

* FIX: fixed alignment of voltage plot labels and reran examples

* MAINT: minor tweaks to unify volume for binary/ternary electrodes

examples/interactive/voltage/LiP_structures

@@ -0,0 +1 @@
+../../../tests/data/hull-LiP-mdm_chem_mater

examples/interactive/voltage/ternary_structures

@@ -0,0 +1 @@
+../../../tests/data/hull-KPSn-KP

matador/battery/electrode.py

@@ -228,7 +228,7 @@ def voltage_summary(self, csv=False):
             with open(fname, 'w') as f:
                 f.write(data_str)
 
-        return 'Voltage data:\n\n{}'.format(data_str)
+        return f"\nVoltage data:\n\n{data_str}"
 
     def __repr__(self):
-        self.voltage_summary(csv=False)
+        return self.voltage_summary(csv=False)

matador/hull/hull.py

@@ -689,13 +689,13 @@ def _calculate_ternary_voltage_curve(self, hull_cursor):
             self.voltage_data.append(profile)
 
             if not self._non_elemental:
-                self.volume_data['x'].append(capacities)
-                self.volume_data['Q'].append(capacities)
+                self.volume_data['x'].append(capacities[:-1])
+                self.volume_data['Q'].append(capacities[:-1])
                 self.volume_data['electrode_volume'].append(volumes)
                 self.volume_data['endstoichs'].append(endstoichs[reaction_ind])
                 self.volume_data['volume_ratio_with_bulk'].append(np.asarray(volumes) / volumes[0])
                 self.volume_data['volume_expansion_percentage'].append(((np.asarray(volumes) / volumes[0]) - 1) * 100)
-                self.volume_data['hull_distances'].append(np.zeros_like(capacities))
+                self.volume_data['hull_distances'].append(np.zeros_like(self.volume_data["x"][-1]))
 
     def _calculate_binary_volume_curve(self):
         """ Take stable compositions and volume and calculate volume

matador/plotting/battery_plotting.py

@@ -101,7 +101,7 @@ def plot_voltage_curve(
     if labels:
         if len(profiles) > 1:
             print("Only labelling first voltage profile.")
-        for ind, reaction in enumerate(profiles[0].reactions):
+        for ind, reaction in enumerate(profiles[0].reactions[:-1]):
             _labels = []
             for phase in reaction:
                 if phase[0] is None or phase[0] == 1.0:
@@ -111,7 +111,7 @@ def plot_voltage_curve(
                 _label += "{}".format(phase[1])
                 _labels.append(_label)
             _label = '+'.join(_labels)
-            _position = (profiles[0].capacities[ind], profiles[0].voltages[ind] + max(profiles[0].voltages)*0.01)
+            _position = (profiles[0].capacities[ind+1], profiles[0].voltages[ind+1] + max(profiles[0].voltages)*0.01)
             ax.annotate(_label, xy=_position, textcoords="data", ha="center", zorder=9999)
 
     if expt or len(profiles) > 1:
@@ -206,13 +206,13 @@ def plot_volume_curve(hull, ax=None, show=True, legend=False, as_percentages=Fal
             raise RuntimeError("This plot does not support --hull_cutoff.")
 
         ax.plot(
-            [q for ind, q in enumerate(hull.volume_data['Q'][j][:-1]) if stable_hull_dist[ind] == 0],
+            [q for ind, q in enumerate(hull.volume_data['Q'][j]) if stable_hull_dist[ind] == 0],
             [v for ind, v in enumerate(hull.volume_data[volume_key][j]) if stable_hull_dist[ind] == 0],
             marker='o', markeredgewidth=1.5, markeredgecolor='k', c=c, zorder=1000, lw=0,
         )
 
         ax.plot(
-            [q for ind, q in enumerate(hull.volume_data['Q'][j][:-1]) if stable_hull_dist[ind] == 0],
+            [q for ind, q in enumerate(hull.volume_data['Q'][j]) if stable_hull_dist[ind] == 0],
             [v for ind, v in enumerate(hull.volume_data[volume_key][j]) if stable_hull_dist[ind] == 0],
             lw=2, c=c,
             label=("{}"