3999396905

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[merge before other PRs] ruff updates (#580)

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56.67

/mdsuite/visualizer/d2_data_visualization.py

"""
MDSuite: A Zincwarecode package.

License
-------
This program and the accompanying materials are made available under the terms
of the Eclipse Public License v2.0 which accompanies this distribution, and is
available at https://www.eclipse.org/legal/epl-v20.html

SPDX-License-Identifier: EPL-2.0

Copyright Contributors to the Zincwarecode Project.

Contact Information
-------------------
email: zincwarecode@gmail.com
github: https://github.com/zincware
web: https://zincwarecode.com/

Citation
--------
If you use this module please cite us with:

Summary
-------
"""
import pathlib
from typing import List, Union

import numpy as np
from bokeh.io import output_file, output_notebook
from bokeh.layouts import gridplot
from bokeh.models import HoverTool
from bokeh.plotting import figure, show

from mdsuite.utils import config


class DataVisualizer2D:
    """Visualizer for two-dimensional data."""

    def __init__(self, title: str, path: pathlib.Path):
        """
        Constructor for the data visualizer.

        Parameters
        ----------
        title : str
                title of the plot.
        path : pathlib.Path
                path to the saving directory of the plot
        """
        if config.jupyter:
            output_notebook()
        else:
            output_file(f"{path / title}.html")

    def construct_plot(
        self,
        x_data: Union[list, np.ndarray],
        y_data: Union[list, np.ndarray],
        x_label: str,
        y_label: str,
        title: str,
        layouts: List = None,
    ) -> figure:
        """
        Generate a plot.

        Parameters
        ----------
        x_data : Union[list, np.ndarray, tf.Tensor]
                data to plot along the x axis.
        y_data : Union[list, np.ndarray, tf.Tensor]
                data to plot along the y axis.
        x_label : str
                label for the x axis
        y_label : str
                label of the y axis.
        title : str
                name of the specific plot.

        Returns
        -------
        figure : figure
                A bokeh figure object.
        """
        fig = figure(
            x_axis_label=x_label,
            y_axis_label=y_label,
            sizing_mode=config.bokeh_sizing_mode,
        )
        fig.line(x_data, y_data, legend_label=title)
        fig.add_tools(HoverTool())
        if layouts is not None:
            for item in layouts:
                fig.add_layout(item)

        return fig

    def grid_show(self, figures: list):
        """
        Display a list of figures in a grid.

        Parameters
        ----------
        figures : list
                A list of figures to display.

        Returns
        -------

        """
        grid = gridplot(figures, ncols=3, sizing_mode="scale_both")
        show(grid)

1	"""
2	MDSuite: A Zincwarecode package.
3
4	License
5	-------
6	This program and the accompanying materials are made available under the terms
7	of the Eclipse Public License v2.0 which accompanies this distribution, and is
8	available at https://www.eclipse.org/legal/epl-v20.html
9
10	SPDX-License-Identifier: EPL-2.0
11
12	Copyright Contributors to the Zincwarecode Project.
13
14	Contact Information
15	-------------------
16	email: zincwarecode@gmail.com
17	github: https://github.com/zincware
18	web: https://zincwarecode.com/
19
20	Citation
21	--------
22	If you use this module please cite us with:
23
24	Summary
25	-------
26	"""
27	import pathlib	4✔
28	from typing import List, Union	4✔
29
30	import numpy as np	4✔
31	from bokeh.io import output_file, output_notebook	4✔
32	from bokeh.layouts import gridplot	4✔
33	from bokeh.models import HoverTool	4✔
34	from bokeh.plotting import figure, show	4✔
35
36	from mdsuite.utils import config	4✔
37
38
39	class DataVisualizer2D:	4✔
40	"""Visualizer for two-dimensional data."""
41
42	def __init__(self, title: str, path: pathlib.Path):	4✔
43	"""
44	Constructor for the data visualizer.
45
46	Parameters
47	----------
48	title : str
49	title of the plot.
50	path : pathlib.Path
51	path to the saving directory of the plot
52	"""
53	if config.jupyter:	4!
54	output_notebook()	×
55	else:
56	output_file(f"{path / title}.html")	4✔
57
58	def construct_plot(	4✔
59	self,
60	x_data: Union[list, np.ndarray],
61	y_data: Union[list, np.ndarray],
62	x_label: str,
63	y_label: str,
64	title: str,
65	layouts: List = None,
66	) -> figure:
67	"""
68	Generate a plot.
69
70	Parameters
71	----------
72	x_data : Union[list, np.ndarray, tf.Tensor]
73	data to plot along the x axis.
74	y_data : Union[list, np.ndarray, tf.Tensor]
75	data to plot along the y axis.
76	x_label : str
77	label for the x axis
78	y_label : str
79	label of the y axis.
80	title : str
81	name of the specific plot.
82
83	Returns
84	-------
85	figure : figure
86	A bokeh figure object.
87	"""
88	fig = figure(	×
89	x_axis_label=x_label,
90	y_axis_label=y_label,
91	sizing_mode=config.bokeh_sizing_mode,
92	)
93	fig.line(x_data, y_data, legend_label=title)	×
94	fig.add_tools(HoverTool())	×
95	if layouts is not None:	×
96	for item in layouts:	×
97	fig.add_layout(item)	×
98
99	return fig	×
100
101	def grid_show(self, figures: list):	4✔
102	"""
103	Display a list of figures in a grid.
104
105	Parameters
106	----------
107	figures : list
108	A list of figures to display.
109
110	Returns
111	-------
112
113	"""
114	grid = gridplot(figures, ncols=3, sizing_mode="scale_both")	4✔
115	show(grid)	4✔

zincware / MDSuite / 3999396905

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