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Added more configurations to allow users more control of the plot. Th…
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…ey are the *_params which are input into various matplotlib functions
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@lllangWV
lllangWV committed Aug 14, 2024
1 parent 9276237 commit fce9c10
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Showing 2 changed files with 126 additions and 54 deletions.
65 changes: 65 additions & 0 deletions pyprocar/cfg/band_structure.py
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Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,7 @@
from typing import Dict, Any, List, Optional,Tuple
from enum import Enum, auto


from pyprocar.cfg.base import PlotType, BaseConfig

class BandStructureMode(Enum):
Expand Down Expand Up @@ -117,6 +118,33 @@ class BandStructureConfig(BaseConfig):
The size of the figure (width, height) in inches.
dpi : str, optional
The resolution in dots per inch. If 'figure', use the figure's dpi value.
colorbar_tick_params : Dict[str, any], optional
The colorbar tick parameters, by default None
colorbar_label_params : Dict[str, any], optional
The colorbar label parameters, by default None
x_label_params : Dict[str, any], optional
The x label parameters, by default None
y_label_params : Dict[str, any], optional
The y label parameters, by default None
title_params : Dict[str, any], optional
The title parameters, by default None
major_x_tick_params : Dict[str, any], optional
The major x tick parameters, by default None
major_y_tick_params : Dict[str, any], optional
The major y tick parameters, by default None
minor_y_tick_params : Dict[str, any], optional
The minor y tick parameters, by default None
major_y_locator : matplotlib.ticker.Locator, optional
The major y locator, by default None
minor_y_locator : matplotlib.ticker.Locator, optional
The minor y locator, by default None
multiple_locator_y_major_value : float, optional
The major value for the multiple locator, by default None
multiple_locator_y_minor_value : float, optional
The minor value for the multiple locator, by default None
Methods
-------
Expand Down Expand Up @@ -171,6 +199,43 @@ class BandStructureConfig(BaseConfig):
figure_size: Tuple[int] = field(default_factory=lambda: (9, 6))
dpi: str = 'figure'


colorbar_tick_params: Dict[str, any] = field(default_factory=lambda: {})
colorbar_label_params: Dict[str, any] = field(default_factory=lambda: {})
x_label_params: Dict[str, any] = field(default_factory=lambda: {})
y_label_params: Dict[str, any] = field(default_factory=lambda: {})
title_params: Dict[str, any] = field(default_factory=lambda: {})
# Tick Parameters
major_y_tick_params: Dict[str, any] = field(default_factory=lambda: {
"which": "major",
"axis": "y",
"direction": "inout",
"width": 1,
"length": 5,
"labelright": False,
"right": True,
"left": True
})
minor_y_tick_params: Dict[str, any] = field(default_factory=lambda: {
"which": "minor",
"axis": "y",
"direction": "in",
"left": True,
"right": True
})
major_x_tick_params: Dict[str, any] = field(default_factory=lambda: {
"which": "major",
"axis": "x",
"direction": "in"
})
major_y_locator = None
minor_y_locator = None

multiple_locator_y_major_value:float = None
multiple_locator_y_minor_value:float = None



def __post_init__(self):
"""This method is immediately called after the object is initialized.
It is useful to validate the data and set default values.
Expand Down
115 changes: 61 additions & 54 deletions pyprocar/plotter/ebs_plot.py
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Original file line number Diff line number Diff line change
Expand Up @@ -528,10 +528,7 @@ def set_xticks(self,

self.ax.set_xticks(self.x[tick_positions])
self.ax.set_xticklabels(tick_names)
self.ax.tick_params(
which='major',
axis='x',
direction='in')
self.ax.tick_params(**self.config.major_x_tick_params)

def set_yticks(self,
major:float=None,
Expand All @@ -548,48 +545,50 @@ def set_yticks(self,
interval : List[float], optional
The interval of the ticks, by default None
"""
if (major is None or minor is None):
if interval is None:
interval = (self.ebs.bands.min()-abs(self.ebs.bands.min())
* 0.1, self.ebs.bands.max()*1.1)

interval = abs(interval[1] - interval[0])
if interval < 30 and interval >= 20:
major = 5
minor = 1
elif interval < 20 and interval >= 10:
major = 4
minor = 0.5
elif interval < 10 and interval >= 5:
major = 2
minor = 0.2
elif interval < 5 and interval >= 3:
major = 1
minor = 0.1
elif interval < 3 and interval >= 1:
major = 0.5
minor = 0.1
else:
pass
if major is not None and minor is not None:
self.ax.yaxis.set_major_locator(MultipleLocator(major))
self.ax.yaxis.set_minor_locator(MultipleLocator(minor))
self.ax.tick_params(
which='major',
axis="y",
direction="inout",
width=1,
length=5,
labelright=False,
right=True,
left=True)

self.ax.tick_params(
which='minor',
axis="y",
direction="in",
left=True,
right=True)
# if (major is None or minor is None):
if interval is None:
interval = (self.ebs.bands.min()-abs(self.ebs.bands.min())
* 0.1, self.ebs.bands.max()*1.1)

interval = abs(interval[1] - interval[0])
if interval < 30 and interval >= 20:
major = 5
minor = 1
elif interval < 20 and interval >= 10:
major = 4
minor = 0.5
elif interval < 10 and interval >= 5:
major = 2
minor = 0.2
elif interval < 5 and interval >= 3:
major = 1
minor = 0.1
elif interval < 3 and interval >= 1:
major = 0.5
minor = 0.1
else:
pass


if self.config.multiple_locator_y_major_value is not None:
major = self.config.multiple_locator_y_major_value
if self.config.multiple_locator_y_minor_value is not None:
minor = self.config.multiple_locator_y_minor_value


if self.config.major_y_locator is not None or self.config.minor_y_locator is not None:
if self.config.major_y_locator is not None:
self.ax.yaxis.set_major_locator(self.config.major_y_locator)
if self.config.minor_y_locator is not None:
self.ax.yaxis.set_minor_locator(self.config.minor_y_locator)
else:
if major is not None:
self.ax.yaxis.set_major_locator(MultipleLocator(major))
if minor is not None:
self.ax.yaxis.set_minor_locator(MultipleLocator(minor))

self.ax.tick_params(**self.config.major_y_tick_params)
self.ax.tick_params(**self.config.minor_y_tick_params)

def set_xlim(self, interval:List[float]=None):
"""A method to set the x limit
Expand Down Expand Up @@ -624,7 +623,7 @@ def set_xlabel(self, label:str="K vector"):
label : str, optional
String fo the x label name, by default "K vector"
"""
self.ax.set_xlabel(label)
self.ax.set_xlabel(label, **self.config.x_label_params)

def set_ylabel(self, label:str=r"E - E$_F$ (eV)"):
"""A method to set the y label
Expand All @@ -634,7 +633,7 @@ def set_ylabel(self, label:str=r"E - E$_F$ (eV)"):
label : str, optional
String fo the y label name, by default r"E - E$ (eV)"
"""
self.ax.set_ylabel(label)
self.ax.set_ylabel(label, **self.config.y_label_params)

def set_title(self, title:str="Band Structure"):
"""A method to set the title
Expand All @@ -645,7 +644,7 @@ def set_title(self, title:str="Band Structure"):
String for the title, by default "Band Structure"
"""
if self.config.title:
self.ax.set_title(label=self.config.title)
self.ax.set_title(label=self.config.title, **self.config.title_params)

def set_colorbar_title(self, title:str=None):
"""A method to set the title of the color bar
Expand All @@ -659,11 +658,19 @@ def set_colorbar_title(self, title:str=None):
title=title
else:
title=self.config.colorbar_title
self.cb.ax.tick_params(labelsize=self.config.colorbar_tick_labelsize)
self.cb.set_label(title,
size=self.config.colorbar_title_size,
rotation=270,
labelpad=self.config.colorbar_title_padding)

if self.config.colorbar_tick_params:
self.cb.ax.tick_params(**self.config.colorbar_tick_params)
else:
self.cb.ax.tick_params(labelsize=self.config.colorbar_tick_labelsize)

if self.config.colorbar_label_params:
self.cb.set_label(title, **self.config.colorbar_label_params)
else:
self.cb.set_label(title,
size=self.config.colorbar_title_size,
rotation=270,
labelpad=self.config.colorbar_title_padding)

def legend(self, labels:List[str]=None):
"""A methdo to plot the legend
Expand Down

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