qtdraw 2.4.1__tar.gz

qtdraw-2.4.1/LICENSE

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+MIT License
+
+Copyright (c) 2021-2023 Hiroaki Kusunose
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

qtdraw-2.4.1/MANIFEST.in

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+# Include docs
+include LICENSE
+recursive-include qtdraw *.png
+recursive-include qtdraw *.py

qtdraw-2.4.1/PKG-INFO

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+Metadata-Version: 2.4
+Name: qtdraw
+Version: 2.4.1
+Summary: 3D drawing tool for molecules and crystals based on Pyvista and PySide6.
+Author-email: Hiroaki Kusunose <hiroaki.kusunose@gmail.com>
+License: MIT
+Project-URL: Homepage, https://github.com/CMT-MU/QtDraw
+Project-URL: Issues, https://github.com/CMT-MU/QtDraw/issues
+Keywords: pyvista,PySide6,multipie
+Classifier: Intended Audience :: Science/Research
+Classifier: Topic :: Scientific/Engineering :: Information Analysis
+Classifier: License :: OSI Approved :: MIT License
+Classifier: Operating System :: Microsoft :: Windows
+Classifier: Operating System :: POSIX
+Classifier: Operating System :: MacOS
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Programming Language :: Python :: 3.13
+Requires-Python: >=3.11
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: numpy
+Requires-Dist: Cython
+Requires-Dist: matplotlib
+Requires-Dist: PySide6
+Requires-Dist: pyvista
+Requires-Dist: pyvistaqt
+Requires-Dist: click
+Requires-Dist: black
+Requires-Dist: ipython
+Requires-Dist: pymatgen
+Requires-Dist: gcoreutils
+Requires-Dist: multipie
+Provides-Extra: dev
+Requires-Dist: jupyter-book; extra == "dev"
+Requires-Dist: ghp-import; extra == "dev"
+Dynamic: license-file
+
+# [QtDraw](https://cmt-mu.github.io/QtDraw/)
+
+3D drawing tool for molecules and crystals based on [PyVista](https://docs.pyvista.org/) and [PySide6](https://doc.qt.io/qtforpython-6/index.html).
+Drawings are associated with crystallographic symmetry operations provided by [MultiPie](https://github.com/CMT-MU/MultiPie).
+
+- **Authors**: Hiroaki Kusunose
+
+- **Citing QtDraw and MultiPie**: If you are using QtDraw and/or MultiPie in your scientific research, please help our scientific visibility by citing our work:
+    > Hiroaki Kusunose, Rikuto Oiwa, and Satoru Hayami, Symmetry-adapted modeling for molecules and crystals, Phys. Rev. B <b>107</b>, 195118 (2023).<br>
+    > DOI: [https://doi.org/10.1103/PhysRevB.107.195118](https://doi.org/10.1103/PhysRevB.107.195118)
+
+- **Installation**: QtDraw can be installed from PyPI using pip on Python >= 3.11:
+    ```
+    pip install qtdraw
+    ```
+
+- **Shell commands**:
+  - `qtdraw [filename]` : Open QtDraw file.
+  - `conv_qtdraw2 [ver1_file.qtdw]` : Convert Version 1 `.qtdw` file into this version (Version 2).
+
+- **Requirements**:
+  - This library requires [TeXLive](https://www.tug.org/texlive/) environment.
+  - Symmetry operation supports are provided by [MultiPie](https://github.com/CMT-MU/MultiPie).
+
+- **See also**:
+  - [Manual](https://cmt-mu.github.io/QtDraw/src/overview.html).
+  - [MultiPie tutorial (in Japanese)](https://cmt-mu.github.io/MultiPieTutorial/)
+  - [QtDraw tutorial (in Japanese)](https://cmt-mu.github.io/QtDrawTutorial/)
+  - Source : [PyPI](https://pypi.org/project/qtdraw/) or [GitHub](https://github.com/CMT-MU/QtDraw)

qtdraw-2.4.1/docs/README.md

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+# [QtDraw](https://cmt-mu.github.io/QtDraw/)
+
+3D drawing tool for molecules and crystals based on [PyVista](https://docs.pyvista.org/) and [PySide6](https://doc.qt.io/qtforpython-6/index.html).
+Drawings are associated with crystallographic symmetry operations provided by [MultiPie](https://github.com/CMT-MU/MultiPie).
+
+- **Authors**: Hiroaki Kusunose
+
+- **Citing QtDraw and MultiPie**: If you are using QtDraw and/or MultiPie in your scientific research, please help our scientific visibility by citing our work:
+    > Hiroaki Kusunose, Rikuto Oiwa, and Satoru Hayami, Symmetry-adapted modeling for molecules and crystals, Phys. Rev. B <b>107</b>, 195118 (2023).<br>
+    > DOI: [https://doi.org/10.1103/PhysRevB.107.195118](https://doi.org/10.1103/PhysRevB.107.195118)
+
+- **Installation**: QtDraw can be installed from PyPI using pip on Python >= 3.11:
+    ```
+    pip install qtdraw
+    ```
+
+- **Shell commands**:
+  - `qtdraw [filename]` : Open QtDraw file.
+  - `conv_qtdraw2 [ver1_file.qtdw]` : Convert Version 1 `.qtdw` file into this version (Version 2).
+
+- **Requirements**:
+  - This library requires [TeXLive](https://www.tug.org/texlive/) environment.
+  - Symmetry operation supports are provided by [MultiPie](https://github.com/CMT-MU/MultiPie).
+
+- **See also**:
+  - [Manual](https://cmt-mu.github.io/QtDraw/src/overview.html).
+  - [MultiPie tutorial (in Japanese)](https://cmt-mu.github.io/MultiPieTutorial/)
+  - [QtDraw tutorial (in Japanese)](https://cmt-mu.github.io/QtDrawTutorial/)
+  - Source : [PyPI](https://pypi.org/project/qtdraw/) or [GitHub](https://github.com/CMT-MU/QtDraw)

qtdraw-2.4.1/pyproject.toml

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+[build-system]
+requires = ["setuptools"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "qtdraw"
+dependencies = [
+    "numpy",
+    "Cython",
+    "matplotlib",
+    "PySide6",
+    "pyvista",
+    "pyvistaqt",
+    "click",
+    "black",
+    "ipython",
+    "pymatgen",
+    "gcoreutils",
+    "multipie",
+]
+dynamic = ["version"]
+requires-python = ">=3.11"
+authors = [
+  { name="Hiroaki Kusunose", email="hiroaki.kusunose@gmail.com" },
+]
+description = "3D drawing tool for molecules and crystals based on Pyvista and PySide6."
+readme = "docs/README.md"
+keywords = ['pyvista', 'PySide6', 'multipie']
+license = {text = "MIT"}
+classifiers = [
+    'Intended Audience :: Science/Research',
+    'Topic :: Scientific/Engineering :: Information Analysis',
+    'License :: OSI Approved :: MIT License',
+    'Operating System :: Microsoft :: Windows',
+    'Operating System :: POSIX',
+    'Operating System :: MacOS',
+    'Programming Language :: Python :: 3.11',
+    'Programming Language :: Python :: 3.12',
+    'Programming Language :: Python :: 3.13',
+]
+
+[project.urls]
+Homepage = "https://github.com/CMT-MU/QtDraw"
+Issues = "https://github.com/CMT-MU/QtDraw/issues"
+
+[project.scripts]
+"qtdraw" = "qtdraw.scripts.qtdraw:cmd"
+"conv_qtdraw2" = "qtdraw.scripts.conv_qtdraw2:cmd"
+
+[project.optional-dependencies]
+dev = [
+    "jupyter-book",
+    "ghp-import",
+]
+
+[tool.setuptools.dynamic]
+version = {attr = "qtdraw.__version__"}
+
+[tool.setuptools.packages.find]
+include = ['qtdraw', 'qtdraw.*']
+exclude = ["build", "tests"]
+
+[tool.black]
+line-length = 130
+
+[tool.build_sphinx]
+source-dir = 'docs'
+build-dir  = './docs/_build'
+all_files  = 1
+
+[tool.upload_sphinx]
+upload-dir = 'docs/_build/html'

qtdraw-2.4.1/qtdraw/__init__.py

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+"""
+QtDraw
+"""
+
+from pathlib import Path
+
+__version__ = "2.4.1"
+__date__ = "2021 - 2025"
+__author__ = "Hiroaki Kusunose"
+__top_dir__ = Path(__file__).parent / ".."

qtdraw-2.4.1/qtdraw/core/dialog_about.py

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+"""
+About dialog.
+
+This module provides about dialog for PyVistaWidget.
+"""
+
+from pathlib import Path
+import sys
+from numpy import __version__ as numpy_ver
+from sympy import __version__ as sympy_ver
+from matplotlib import __version__ as matplot_ver
+from PySide6 import __version__ as pyside6_ver
+import pyvista as pv
+from pyvistaqt import __version__ as pyvistaqt_ver
+from PySide6.QtWidgets import QDialog, QWidget, QDialogButtonBox, QSizePolicy
+from PySide6.QtGui import QPixmap
+from qtdraw.widget.custom_widget import Layout, Label, VSpacer
+from qtdraw.__init__ import __version__, __date__, __author__
+from qtdraw.util.util import check_multipie
+
+
+# ==================================================
+class AboutDialog(QDialog):
+    # ==================================================
+    def __init__(self, widget, parent=None):
+        """
+        About dialog.
+
+        Args:
+            widget (PyVistaWidget): widget.
+            parent (QWidget, optional): parent.
+        """
+        super().__init__(parent)
+        self.setWindowTitle("About")
+        self.resize(100, 100)
+        policy = QSizePolicy(QSizePolicy.Minimum, QSizePolicy.Minimum)
+        self.setSizePolicy(policy)
+
+        self.pvw = widget
+
+        # buttons.
+        button = QDialogButtonBox(QDialogButtonBox.Ok)
+        button.accepted.connect(self.accept)
+
+        panel = self.create_about_panel(self)
+
+        # main layout
+        layout = Layout(self)
+        layout.setContentsMargins(20, 20, 20, 20)
+        layout.addWidget(panel, 0, 0, 1, 1)
+        layout.addWidget(button, 1, 0, 1, 1)
+
+    # ==================================================
+    def create_about_panel(self, parent):
+        """
+        Create about panel.
+        """
+        indent = " " * 4
+        vtk_ver = ".".join(map(str, pv.vtk_version_info))
+        pyvista_ver = pv._version.__version__
+        python_ver = sys.version.replace(" [", f"\n{indent+indent}[")
+        multipie = "version" in self.pvw._status["multipie"].keys()
+
+        panel = QWidget(parent)
+        layout = Layout(panel)
+
+        label_icon = Label(parent)
+        file = str(Path(__file__).parent / "qtdraw.png")
+        pix = QPixmap(file)
+        pix = pix.scaledToHeight(int(2.5 * self.height()))
+        label_icon.setPixmap(pix)
+        label_qtdraw = Label(parent, "QtDraw", True)
+        label_copyright = Label(parent, self.pvw.copyright)
+        label_python = Label(parent, f"\n{indent}Python: Ver. {python_ver}")
+        label_pyvista = Label(parent, f"{indent}PyVista: Ver. {pyvista_ver}")
+        label_pvqt = Label(parent, f"{indent}PyVistaQt: Ver. {pyvistaqt_ver}")
+        label_vtk = Label(parent, f"{indent}VTK: Ver. {vtk_ver}")
+        label_qt = Label(parent, f"{indent}PySide6: Ver. {pyside6_ver}")
+        label_numpy = Label(parent, f"{indent}NumPy: Ver. {numpy_ver}")
+        label_sympy = Label(parent, f"{indent}SymPy: Ver. {sympy_ver}")
+        label_matplotlib = Label(parent, f"{indent}Matplotlib: Ver. {matplot_ver}")
+        multipie = check_multipie()
+        if multipie:
+            from multipie import __version__ as multipie_ver
+
+            label_multipie = Label(parent, f"{indent}MultiPie: Ver. {multipie_ver}")
+
+        panel1 = QWidget(parent)
+        layout1 = Layout(panel1)
+        layout1.setContentsMargins(10, 10, 10, 10)
+        layout1.addWidget(label_qtdraw, 0, 0, 1, 1)
+        layout1.addWidget(label_copyright, 1, 0, 1, 1)
+        layout1.addWidget(label_python, 2, 0, 1, 1)
+        layout1.addWidget(label_pyvista, 3, 0, 1, 1)
+        layout1.addWidget(label_pvqt, 4, 0, 1, 1)
+        layout1.addWidget(label_vtk, 5, 0, 1, 1)
+        layout1.addWidget(label_qt, 6, 0, 1, 1)
+        layout1.addWidget(label_numpy, 7, 0, 1, 1)
+        layout1.addWidget(label_sympy, 8, 0, 1, 1)
+        layout1.addWidget(label_matplotlib, 9, 0, 1, 1)
+        if multipie:
+            layout1.addWidget(label_multipie, 10, 0, 1, 1)
+            layout1.addItem(VSpacer(), 11, 0, 1, 1)
+        else:
+            layout1.addItem(VSpacer(), 10, 0, 1, 1)
+
+        layout.addWidget(label_icon, 0, 0, 1, 1)
+        layout.addWidget(panel1, 0, 1, 1, 1)
+
+        return panel
+
+
+# ==================================================
+def get_version_info():
+    """
+    Get version info.
+
+    Returns:
+        - (str) -- version info.
+    """
+    indent = " " * 4
+    vtk_ver = ".".join(map(str, pv.vtk_version_info))
+    pyvista_ver = pv._version.__version__
+    python_ver = sys.version
+    cr = f"Versoin {__version__}, Copyright (C) {__date__} by {__author__}"
+
+    s = "* QtDraw: " + cr + "\n"
+    s += f"{indent}Python: Ver. {python_ver}" + "\n"
+    s += f"{indent}PyVista: Ver. {pyvista_ver}" + "\n"
+    s += f"{indent}PyVistaQt: Ver. {pyvistaqt_ver}" + "\n"
+    s += f"{indent}VTK: Ver. {vtk_ver}" + "\n"
+    s += f"{indent}PySide6: Ver. {pyside6_ver}" + "\n"
+    s += f"{indent}NumPy: Ver. {numpy_ver}" + "\n"
+    s += f"{indent}SymPy: Ver. {sympy_ver}" + "\n"
+    s += f"{indent}Matplotlib: Ver. {matplot_ver}" + "\n"
+    if check_multipie():
+        from multipie import __version__ as multipie_ver
+
+        s += f"{indent}MultiPie: Ver. {multipie_ver}" + "\n"
+    s += "-" * 90
+
+    return s