xarpes 0.2.1__py3-none-any.whl → 0.2.3__py3-none-any.whl

xarpes/.ipynb_checkpoints/functions-checkpoint.py

@@ -1,133 +0,0 @@
-# Copyright (C) 2024 xARPES Developers
-# This program is free software under the terms of the GNU GPLv3 license.
-
-"""Separate functions mostly used in conjunction with various classes."""
-
-def download_examples():
-    """Downloads the examples folder from the xARPES code only if it does not
-    already exist. Prints executed steps and a final cleanup/failure message.
-    
-    Returns
-    -------
-    0, 1 : int
-        Returns 0 if the execution succeeds, 1 if it fails.
-    """
-    import requests
-    import zipfile
-    import os
-    import shutil
-    import io
-    
-    repo_url = 'https://github.com/xARPES/xARPES_examples'
-    output_dir = '.'  # Directory from which the function is called
-    
-    # Check if 'examples' directory already exists
-    final_examples_path = os.path.join(output_dir, 'examples')
-    if os.path.exists(final_examples_path):
-        print("Warning: 'examples' folder already exists. No download will be performed.")
-        return 1 # Exit the function if 'examples' directory exists
-
-    # Proceed with download if 'examples' directory does not exist
-    repo_parts = repo_url.replace("https://github.com/", "").rstrip('/')
-    zip_url = f"https://github.com/{repo_parts}/archive/refs/heads/main.zip"
-
-    # Make the HTTP request to download the zip file
-    print(f"Downloading {zip_url}")
-    response = requests.get(zip_url)
-    if response.status_code == 200:
-        zip_file_bytes = io.BytesIO(response.content)
-
-        with zipfile.ZipFile(zip_file_bytes, 'r') as zip_ref:
-            zip_ref.extractall(output_dir)
-
-        # Path to the extracted main folder
-        main_folder_path = os.path.join(output_dir, repo_parts.split('/')[-1] + '-main')
-        examples_path = os.path.join(main_folder_path, 'examples')
-
-        # Move the 'examples' directory to the target location if it was extracted
-        if os.path.exists(examples_path):
-            shutil.move(examples_path, final_examples_path)
-            print(f"'examples' subdirectory moved to {final_examples_path}")
-        else:
-            print("'examples' subdirectory not found in the repository.")
-
-        # Remove the rest of the extracted content
-        shutil.rmtree(main_folder_path)
-        print(f"Cleaned up temporary files in {main_folder_path}")
-        return 0
-    else:
-        print(f"Failed to download the repository. Status code: {response.status_code}")
-        return 1
-
-
-def error_function(p, xdata, ydata, function, extra_args):
-    r"""The error function used inside the fit_leastsq function.
-
-    Parameters
-    ----------
-    p : ndarray
-        Array of parameters during the optimization
-    xdata : ndarray
-        Array of abscissa values the function is evaluated on
-    ydata : ndarray
-        Outcomes on ordinate the evaluated function is compared to
-    function : function
-        Function or class with call method to be evaluated
-    extra_args :
-        Arguments provided to function that should not be optimized
-
-    Returns
-    -------
-    residual :
-        Residual between evaluated function and ydata
-    """
-    residual = function(xdata, *p, extra_args) - ydata
-    return residual
-
-
-def fit_leastsq(p0, xdata, ydata, function, extra_args):
-    r"""Wrapper arround scipy.optimize.leastsq.
-
-    Parameters
-    ----------
-    p0 : ndarray
-        Initial guess for parameters to be optimized
-    xdata : ndarray
-        Array of abscissa values the function is evaluated on
-    ydata : ndarray
-        Outcomes on ordinate the evaluated function is compared to
-    function : function
-        Function or class with call method to be evaluated
-    extra_args :
-        Arguments provided to function that should not be optimized
-
-    Returns
-    -------
-    pfit_leastsq : ndarray
-        Array containing the optimized parameters
-    perr_leastsq : ndarray
-        Covariance matrix of the optimized parameters
-    """
-    import numpy as np
-    from scipy.optimize import leastsq
-    pfit, pcov, infodict, errmsg, success = leastsq(
-        error_function, p0, args=(xdata, ydata, function, extra_args),
-        full_output=1)
-
-    if (len(ydata) > len(p0)) and pcov is not None:
-        s_sq = (error_function(pfit, xdata, ydata, function,
-                               extra_args) ** 2).sum() / (len(ydata) - len(p0))
-        pcov = pcov * s_sq
-    else:
-        pcov = np.inf
-
-    error = []
-    for i in range(len(pfit)):
-        try:
-          error.append(np.absolute(pcov[i][i]) ** 0.5)
-        except:
-          error.append(0.00)
-    pfit_leastsq = pfit
-    perr_leastsq = np.array(error)
-
-    return pfit_leastsq, perr_leastsq

xarpes/.ipynb_checkpoints/plotting-checkpoint.py

@@ -1,157 +0,0 @@
-# Copyright (C) 2024 xARPES Developers
-# This program is free software under the terms of the GNU GPLv3 license.
-
-# get_ax_fig_plt and add_fig_kwargs originate from pymatgen/util/plotting.py.
-# Copyright (C) 2011-2024 Shyue Ping Ong and the pymatgen Development Team
-# pymatgen is released under the MIT License.
-
-# See also abipy/tools/plotting.py.
-# Copyright (C) 2021 Matteo Giantomassi and the AbiPy Group
-# AbiPy is free software under the terms of the GNU GPLv2 license.
-
-"""Functions related to plotting."""
-
-from functools import wraps
-import matplotlib.pyplot as plt
-import matplotlib as mpl
-
-def plot_settings(name='default'):
-    mpl.rc('xtick', labelsize=10, direction='in')
-    mpl.rc('ytick', labelsize=10, direction='in')
-    lw = dict(default=2.0, large=4.0)[name]
-    mpl.rcParams['lines.linewidth'] = lw
-    mpl.rcParams['lines.markersize'] = 3
-    mpl.rcParams['xtick.major.size'] = 4
-    mpl.rcParams['xtick.minor.size'] = 2
-    mpl.rcParams['xtick.major.width'] = 0.8
-    mpl.rcParams.update({'font.size': 16})
-
-def get_ax_fig_plt(ax=None, **kwargs):
-    r"""Helper function used in plot functions supporting an optional `Axes`
-    argument.
-
-    If `ax` is `None`, we build the `matplotlib` figure and create the `Axes`.
-    Else we return the current active figure.
-
-    Parameters
-    ----------
-    ax : object
-        `Axes` object. Defaults to `None`.
-    **kwargs
-        Keyword arguments are passed to `plt.figure` if `ax` is not `None`.
-
-    Returns
-    -------
-    ax : object
-        `Axes` object.
-    figure : object
-        `matplotlib` figure.
-    plt : object
-        `matplotlib.pyplot` module.
-    """
-    if ax is None:
-        fig = plt.figure(**kwargs)
-        ax = fig.gca()
-    else:
-        fig = plt.gcf()
-
-    return ax, fig, plt
-
-def add_fig_kwargs(func):
-    """Decorator that adds keyword arguments for functions returning matplotlib
-    figures.
-
-    The function should return either a matplotlib figure or None to signal
-    some sort of error/unexpected event.
-    """
-    @wraps(func)
-    def wrapper(*args, **kwargs):
-        # pop the kwds used by the decorator.
-        title = kwargs.pop('title', None)
-        size_kwargs = kwargs.pop('size_kwargs', None)
-        show = kwargs.pop('show', True)
-        savefig = kwargs.pop('savefig', None)
-        tight_layout = kwargs.pop('tight_layout', False)
-        ax_grid = kwargs.pop('ax_grid', None)
-        ax_annotate = kwargs.pop('ax_annotate', None)
-        fig_close = kwargs.pop('fig_close', False)
-
-        # Call func and return immediately if None is returned.
-        fig = func(*args, **kwargs)
-        if fig is None:
-            return fig
-
-        # Operate on matplotlib figure.
-        if title is not None:
-            fig.suptitle(title)
-
-        if size_kwargs is not None:
-            fig.set_size_inches(size_kwargs.pop('w'), size_kwargs.pop('h'),
-                                **size_kwargs)
-
-        if ax_grid is not None:
-            for ax in fig.axes:
-                ax.grid(bool(ax_grid))
-
-        if ax_annotate:
-            tags = ascii_letters
-            if len(fig.axes) > len(tags):
-                tags = (1 + len(ascii_letters) // len(fig.axes)) * ascii_letters
-            for ax, tag in zip(fig.axes, tags):
-                ax.annotate(f'({tag})', xy=(0.05, 0.95),
-                            xycoords='axes fraction')
-
-        if tight_layout:
-            try:
-                fig.tight_layout()
-            except Exception as exc:
-                # For some unknown reason, this problem shows up only on travis.
-                # https://stackoverflow.com/questions/22708888/valueerror-when-using-matplotlib-tight-layout
-                print('Ignoring Exception raised by fig.tight_layout\n',
-                      str(exc))
-
-        if savefig:
-            fig.savefig(savefig)
-
-        if show:
-            plt.show()
-        if fig_close:
-            plt.close(fig=fig)
-
-        return fig
-
-    # Add docstring to the decorated method.
-    doc_str = """\n\n
-
-        notes
-        -----
-
-        Keyword arguments controlling the display of the figure:
-
-        ================  ====================================================
-        kwargs            Meaning
-        ================  ====================================================
-        title             Title of the plot (Default: None).
-        show              True to show the figure (default: True).
-        savefig           "abc.png" or "abc.eps" to save the figure to a file.
-        size_kwargs       Dictionary with options passed to fig.set_size_inches
-                          e.g. size_kwargs=dict(w=3, h=4)
-        tight_layout      True to call fig.tight_layout (default: False)
-        ax_grid           True (False) to add (remove) grid from all axes in
-                          fig.
-                          Default: None i.e. fig is left unchanged.
-        ax_annotate       Add labels to  subplots e.g. (a), (b).
-                          Default: False
-        fig_close         Close figure. Default: False.
-        ================  ====================================================
-
-"""
-
-    if wrapper.__doc__ is not None:
-        # Add s at the end of the docstring.
-        wrapper.__doc__ += f'\n{doc_str}'
-    else:
-        # Use s
-        wrapper.__doc__ = doc_str
-
-    return wrapper

xarpes-0.2.1.dist-info/RECORD

@@ -1,14 +0,0 @@
-xarpes/__init__.py,sha256=BWv-QhK-EJZk_mmu5gCuZUp7QvBNVjaSd--WsWRxNt0,149
-xarpes/band_map.py,sha256=RSK16cEb1nrvl8CnARnkVN4EbVu6aQY2eViqjl6kkso,7423
-xarpes/distributions.py,sha256=SjdmmcJIt_hKJzF5xttdUjwnQJ4EJhw0VJK6rpsRt1s,13410
-xarpes/functions.py,sha256=14myw9fd_1kx5UP9J58PnsG_cLqQe41ObFTturi9YJY,4600
-xarpes/plotting.py,sha256=JtwmhuzG8ccLM_a00CfHB08Wyvs3Zjke2l9T5VTKfns,5343
-xarpes/.ipynb_checkpoints/__init__-checkpoint.py,sha256=bqmCZw92_A1-3xFvnMMxNOpPn8TWfJdbR3GtdASKgOU,291
-xarpes/.ipynb_checkpoints/band_map-checkpoint.py,sha256=RSK16cEb1nrvl8CnARnkVN4EbVu6aQY2eViqjl6kkso,7423
-xarpes/.ipynb_checkpoints/distributions-checkpoint.py,sha256=SjdmmcJIt_hKJzF5xttdUjwnQJ4EJhw0VJK6rpsRt1s,13410
-xarpes/.ipynb_checkpoints/functions-checkpoint.py,sha256=14myw9fd_1kx5UP9J58PnsG_cLqQe41ObFTturi9YJY,4600
-xarpes/.ipynb_checkpoints/plotting-checkpoint.py,sha256=JtwmhuzG8ccLM_a00CfHB08Wyvs3Zjke2l9T5VTKfns,5343
-xarpes-0.2.1.dist-info/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
-xarpes-0.2.1.dist-info/WHEEL,sha256=EZbGkh7Ie4PoZfRQ8I0ZuP9VklN_TvcZ6DSE5Uar4z4,81
-xarpes-0.2.1.dist-info/METADATA,sha256=m-rwvVaacc3PpVUnVVJEFXrVAlQOBZGn7gASXjUhTP4,3865
-xarpes-0.2.1.dist-info/RECORD,,