Merge pull request #181 from SMTG-UCL/fix-colour

Fix projected band plot with 2 colour

Author: utf

sumo/cli/bandplot.py

@@ -55,8 +55,8 @@ def bandplot(
     normalise="all",
     interpolate_factor=4,
     color1="#FF0000",
-    color2="#00FF00",
-    color3="#0000FF",
+    color2="#0000FF",
+    color3="#00FF00",
     colorspace="lab",
     circle_size=150,
     dos_file=None,
@@ -674,18 +674,18 @@ def _get_parser():
     parser.add_argument(
         "--colour2",
         type=str,
-        default="#00FF00",
+        default="#0000FF",
         dest="color2",
         metavar="C",
-        help="colour2 for rgb projections (default: green)",
+        help="colour2 for rgb projections (default: blue)",
     )
     parser.add_argument(
         "--colour3",
         type=str,
-        default="#0000FF",
+        default="#00FF00",
         dest="color3",
         metavar="C",
-        help="colour3 for rgb projections (default: blue)",
+        help="colour3 for rgb projections (default: green)",
     )
     parser.add_argument(
         "--colourspace",

sumo/plotting/bs_plotter.py

@@ -326,8 +326,8 @@ def get_projected_plot(
         normalise="all",
         interpolate_factor=4,
         color1="#FF0000",
-        color2="#00FF00",
-        color3="#0000FF",
+        color2="#0000FF",
+        color3="#00FF00",
         colorspace="lab",
         circle_size=150,
         projection_cutoff=0.001,
@@ -603,8 +603,8 @@ def get_projected_plot(
 
                 # if only two orbitals then just use red and blue
                 if len(weights) == 2:
-                    weights = np.insert(weights, 1, np.zeros(weights[0].shape), axis=0)
-                    colours = ["#ff0000", "#0000ff"]
+                    weights = np.insert(weights, 2, np.zeros(weights[0].shape), axis=0)
+                    colours = [color1, color2]
 
                 ls = "-" if spin == Spin.up else "--"
                 lc = colorline(