- Introduced new plot_utils.py with Wes Anderson color palettes and u…

…tility functions

- Updated Fermi surface 2D configuration to use default color map
- Modified import statements in scriptFermi2D.py
- Adjusted default colormap in fermi_surface_2d.yml

pyprocar/cfg/fermi_surface_2d.py

@@ -4,6 +4,8 @@
 
 from pyprocar.cfg.base import PlotType, BaseConfig
 
+from pyprocar.utils.plot_utils import DEFAULT_COLORS, wes_anderson_palettes, create_colormap
+
 
 class FermiSurface2DMode(Enum):
     """
@@ -103,7 +105,7 @@ class FermiSurface2DConfig(BaseConfig):
     plot_color_bar: bool = False
 
     # Plot Appearance
-    cmap: str = 'jet'
+    cmap: str = "jet"
     clim: Optional[Tuple[float, float]] = field(default_factory=lambda: (None, None))
     color: List[str] = field(default_factory=lambda: ['blue', 'red'])
     linestyle: List[str] = field(default_factory=lambda: ['solid', 'dashed'])

pyprocar/cfg/fermi_surface_2d.yml

@@ -12,9 +12,8 @@ plot_color_bar:
 
 cmap:  
   description: The colormap used for the plot.
-  value: jet
+  value: magma
 
-  value: jet
 clim:
     description: The color scale for the color bar
     value: 

pyprocar/core/fermisurface.py

@@ -75,7 +75,8 @@ def __init__(self, kpoints, bands, spd,
         self.log.debug("FermiSurface.init: ...Done")
 
         config_manager=ConfigManager(os.path.join(ROOT,'pyprocar','cfg','fermi_surface_2d.yml'))
-        config_manager.update_config(kwargs)  
+
+        config_manager.update_config(kwargs)
         self.config=config_manager.get_config()
         return None
 

pyprocar/scripts/scriptFermi2D.py

@@ -12,13 +12,16 @@
 from matplotlib import colors as mpcolors
 from matplotlib import cm
 
-from ..core import ProcarSymmetry, FermiSurface
-from ..utils import welcome, ROOT
-from .. import io
+from pyprocar.core import ProcarSymmetry, FermiSurface
+from pyprocar.utils import welcome, ROOT
+from pyprocar import io
+from pyprocar.utils.plot_utils import DEFAULT_COLOR_MAP
 
 with open(os.path.join(ROOT,'pyprocar','cfg','fermi_surface_2d.yml'), 'r') as file:
     plot_opt = yaml.safe_load(file)
 
+plot_opt['cmap'] = DEFAULT_COLOR_MAP
+
 def fermi2D(
     code:str,
     dirname:str,
@@ -159,8 +162,6 @@ def fermi2D(
             """
     )
 
-
-
     if structure.rotations is not None:
         ebs.ibz2fbz(structure.rotations)
 

pyprocar/utils/plot_utils.py

@@ -0,0 +1,81 @@
+import matplotlib.colors as mcolors
+import matplotlib.pyplot as plt
+
+# Credits to https://github.com/karthik/wesanderson
+wes_anderson_palettes = {
+    "BottleRocket1": [
+        "#A42820",
+        "#5F5647",
+        "#9B110E",
+        "#3F5151",
+        "#4E2A1E",
+        "#550307",
+        "#0C1707",
+    ],
+    "BottleRocket2": ["#FAD510", "#CB2314", "#273046", "#354823", "#1E1E1E"],
+    "Rushmore1": ["#E1BD6D", "#EABE94", "#0B775E", "#35274A", "#F2300F"],
+    "Rushmore": ["#E1BD6D", "#EABE94", "#0B775E", "#35274A", "#F2300F"],
+    "Royal1": ["#899DA4", "#C93312", "#FAEFD1", "#DC863B"],
+    "Royal2": ["#9A8822", "#F5CDB4", "#F8AFA8", "#FDDDA0", "#74A089"],
+    "Zissou1": ["#3B9AB2", "#78B7C5", "#EBCC2A", "#E1AF00", "#F21A00"],
+    "Zissou1Continuous": [
+        "#3A9AB2",
+        "#6FB2C1",
+        "#91BAB6",
+        "#A5C2A3",
+        "#BDC881",
+        "#DCCB4E",
+        "#E3B710",
+        "#E79805",
+        "#EC7A05",
+        "#EF5703",
+        "#F11B00",
+    ],
+    "Darjeeling1": ["#FF0000", "#00A08A", "#F2AD00", "#e66f0e", "#5BBCD6"],
+    "Darjeeling2": ["#ECCBAE", "#046C9A", "#D69C4E", "#ABDDDE", "#000000"],
+    "Darjeeling1_alt": ["#e52207", "#00a398", "#e5a000", "#ABDDDE", "#59b9de"],
+    "Chevalier1": ["#446455", "#FDD262", "#D3DDDC", "#C7B19C"],
+    "FantasticFox1": ["#DD8D29", "#E2D200", "#46ACC8", "#E58601", "#B40F20"],
+    "Moonrise1": ["#F3DF6C", "#CEAB07", "#D5D5D3", "#24281A"],
+    "Moonrise2": ["#798E87", "#C27D38", "#CCC591", "#29211F"],
+    "Moonrise3": ["#85D4E3", "#F4B5BD", "#9C964A", "#CDC08C", "#FAD77B"],
+    "Cavalcanti1": ["#D8B70A", "#02401B", "#A2A475", "#81A88D", "#972D15"],
+    "GrandBudapest1": ["#F1BB7B", "#FD6467", "#5B1A18", "#D67236"],
+    "GrandBudapest2": ["#E6A0C4", "#C6CDF7", "#D8A499", "#7294D4"],
+    "IsleofDogs1": ["#9986A5", "#79402E", "#CCBA72", "#0F0D0E", "#D9D0D3", "#8D8680"],
+    "IsleofDogs2": ["#EAD3BF", "#AA9486", "#B6854D", "#39312F", "#1C1718"],
+    "FrenchDispatch": ["#90D4CC", "#BD3027", "#B0AFA2", "#7FC0C6", "#9D9C85"],
+    "AsteroidCity1": ["#0A9F9D", "#CEB175", "#E54E21", "#6C8645", "#C18748"],
+    "AsteroidCity2": ["#C52E19", "#AC9765", "#54D8B1", "#b67c3b", "#175149", "#AF4E24"],
+    "AsteroidCity3": ["#FBA72A", "#D3D4D8", "#CB7A5C", "#5785C1"],
+}
+
+
+# Function to set a specific color palette
+def set_palette(palette_name):
+    if palette_name in wes_anderson_palettes:
+        plt.rcParams["axes.prop_cycle"] = plt.cycler(
+            color=wes_anderson_palettes[palette_name]
+        )
+    else:
+        print(f"Palette '{palette_name}' not found.")
+
+
+# Function to create a custom colormap from a palette
+def create_colormap(palette_name):
+    if palette_name in wes_anderson_palettes:
+        return mcolors.LinearSegmentedColormap.from_list(
+            palette_name, wes_anderson_palettes[palette_name]
+        )
+    else:
+        print(f"Palette '{palette_name}' not found.")
+        return None
+
+
+# DEFAULT_COLOR_MAP = mcolors.LinearSegmentedColormap.from_list(
+#     "", wes_anderson_palettes["Zissou1Continuous"]
+# )
+DEFAULT_COLORS = wes_anderson_palettes["Darjeeling1"]
+DEFAULT_COLORS.extend(wes_anderson_palettes["Darjeeling2"])
+plt.rcParams["axes.prop_cycle"] = plt.cycler(color=DEFAULT_COLORS)
+DEFAULT_COLOR_MAP = create_colormap("Zissou1Continuous")