diff --git a/.DS_Store b/.DS_Store index ad16078..f6e487b 100644 Binary files a/.DS_Store and b/.DS_Store differ diff --git a/README b/README new file mode 100644 index 0000000..12d1b5b --- /dev/null +++ b/README @@ -0,0 +1,16 @@ +# Multi-coloured Molecules STL Generator + +## Version: 1.0.0 + +### Description +Generate a single file including separate atoms to 3D print a molecule in color. + +### Author +- **Name:** Jakub Vávra +- **Email:** j.vavra@sh.cvut.cz + +### License +CC0 1.0 Universal (CC0 1.0) Public Domain Dedication + +### Project URL +[GitHub Repository](https://github.com/KubiV/3D-Print-Molecules) diff --git a/open_in_slicer.py b/To be integrated/open_in_slicer.py similarity index 100% rename from open_in_slicer.py rename to To be integrated/open_in_slicer.py diff --git a/build/.DS_Store b/build/.DS_Store new file mode 100644 index 0000000..a499576 Binary files /dev/null and b/build/.DS_Store differ diff --git a/build/main/.DS_Store b/build/main/.DS_Store new file mode 100644 index 0000000..1ced651 Binary files /dev/null and b/build/main/.DS_Store differ diff --git a/build/main/Analysis-00.toc b/build/main/Analysis-00.toc new file mode 100644 index 0000000..38717e2 --- /dev/null +++ b/build/main/Analysis-00.toc @@ -0,0 +1,2968 @@ +(['/Users/jakubvavra/Documents/GitHub/3D-Print-Molecules/src/main.py'], + ['/Users/jakubvavra/Documents/GitHub/3D-Print-Molecules/src'], + [], + ['/opt/homebrew/lib/python3.11/site-packages/numpy/_pyinstaller', + '/opt/homebrew/lib/python3.11/site-packages/_pyinstaller_hooks_contrib/hooks/stdhooks', + '/opt/homebrew/lib/python3.11/site-packages/_pyinstaller_hooks_contrib/hooks/stdhooks/__pycache__', + '/opt/homebrew/lib/python3.11/site-packages/_pyinstaller_hooks_contrib/hooks/rthooks', + '/opt/homebrew/lib/python3.11/site-packages/_pyinstaller_hooks_contrib/hooks/rthooks/__pycache__', + '/opt/homebrew/lib/python3.11/site-packages/_pyinstaller_hooks_contrib/hooks'], + {}, + [], + [], + False, + {}, + [], + [], + '3.11.6 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'/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tk8.6/ttk/fonts.tcl', + 'DATA'), + ('tk/ttk/vistaTheme.tcl', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tk8.6/ttk/vistaTheme.tcl', + 'DATA'), + ('tk/ttk/altTheme.tcl', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tk8.6/ttk/altTheme.tcl', + 'DATA'), + ('tk/ttk/combobox.tcl', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tk8.6/ttk/combobox.tcl', + 'DATA'), + ('tk/ttk/winTheme.tcl', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tk8.6/ttk/winTheme.tcl', + 'DATA'), + ('tk/ttk/scale.tcl', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tk8.6/ttk/scale.tcl', + 'DATA'), + ('tk/ttk/menubutton.tcl', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tk8.6/ttk/menubutton.tcl', + 'DATA'), + ('tk/ttk/progress.tcl', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tk8.6/ttk/progress.tcl', + 'DATA'), + ('tk/ttk/cursors.tcl', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tk8.6/ttk/cursors.tcl', + 'DATA')]) diff --git a/build/main/Tree-02.toc b/build/main/Tree-02.toc new file mode 100644 index 0000000..9b1a23d --- /dev/null +++ b/build/main/Tree-02.toc @@ -0,0 +1,22 @@ +('/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tcl8.6/../tcl8', + 'tcl8', + [], + 'DATA', + [('tcl8/8.5/tcltest-2.5.5.tm', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tcl8.6/../tcl8/8.5/tcltest-2.5.5.tm', + 'DATA'), + ('tcl8/8.5/msgcat-1.6.1.tm', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tcl8.6/../tcl8/8.5/msgcat-1.6.1.tm', + 'DATA'), + ('tcl8/8.4/platform-1.0.19.tm', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tcl8.6/../tcl8/8.4/platform-1.0.19.tm', + 'DATA'), + ('tcl8/8.4/platform/shell-1.1.4.tm', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tcl8.6/../tcl8/8.4/platform/shell-1.1.4.tm', + 'DATA'), + ('tcl8/8.6/http-2.9.8.tm', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tcl8.6/../tcl8/8.6/http-2.9.8.tm', + 'DATA'), + ('tcl8/8.6/tdbc/sqlite3-1.1.5.tm', + '/opt/homebrew/Cellar/tcl-tk/8.6.13_5/lib/tcl8.6/../tcl8/8.6/tdbc/sqlite3-1.1.5.tm', + 'DATA')]) diff --git a/build/main/base_library.zip b/build/main/base_library.zip new file mode 100644 index 0000000..43b09c7 Binary files /dev/null and b/build/main/base_library.zip differ diff --git a/build/main/localpycs/pyimod01_archive.pyc b/build/main/localpycs/pyimod01_archive.pyc new file mode 100644 index 0000000..c97649c Binary files /dev/null and b/build/main/localpycs/pyimod01_archive.pyc differ diff --git a/build/main/localpycs/pyimod02_importers.pyc b/build/main/localpycs/pyimod02_importers.pyc new file mode 100644 index 0000000..a8c9c09 Binary files /dev/null and b/build/main/localpycs/pyimod02_importers.pyc differ diff --git a/build/main/localpycs/pyimod03_ctypes.pyc b/build/main/localpycs/pyimod03_ctypes.pyc new file mode 100644 index 0000000..c580d98 Binary files /dev/null and b/build/main/localpycs/pyimod03_ctypes.pyc differ diff --git a/build/main/localpycs/struct.pyc b/build/main/localpycs/struct.pyc new file mode 100644 index 0000000..3fa7004 Binary files /dev/null and b/build/main/localpycs/struct.pyc differ diff --git a/build/main/main b/build/main/main new file mode 100755 index 0000000..7c1616d Binary files /dev/null and b/build/main/main differ diff --git a/build/main/main.pkg b/build/main/main.pkg new file mode 100644 index 0000000..bac6c05 Binary files /dev/null and b/build/main/main.pkg differ diff --git a/build/main/warn-main.txt b/build/main/warn-main.txt new file mode 100644 index 0000000..fba5e1a --- /dev/null +++ b/build/main/warn-main.txt @@ -0,0 +1,174 @@ + +This file lists modules PyInstaller was not able to find. This does not +necessarily mean this module is required for running your program. Python and +Python 3rd-party packages include a lot of conditional or optional modules. For +example the module 'ntpath' only exists on Windows, whereas the module +'posixpath' only exists on Posix systems. + +Types if import: +* top-level: imported at the top-level - look at these first +* conditional: imported within an if-statement +* delayed: imported within a function +* optional: imported within a try-except-statement + +IMPORTANT: Do NOT post this list to the issue-tracker. Use it as a basis for + tracking down the missing module yourself. Thanks! + +missing module named 'org.python' - imported by copy (optional), xml.sax (delayed, conditional) +missing module named winreg - imported by importlib._bootstrap_external (conditional), mimetypes (optional), urllib.request (delayed, conditional, optional), requests.utils (delayed, conditional, optional), platform (delayed, optional), pkg_resources._vendor.platformdirs.windows (delayed, optional) +missing module named msvcrt - imported by subprocess (optional), getpass (optional), multiprocessing.spawn (delayed, conditional), multiprocessing.popen_spawn_win32 (top-level), asyncio.windows_events (top-level), asyncio.windows_utils (top-level) +missing module named _frozen_importlib_external - imported by importlib._bootstrap (delayed), importlib (optional), importlib.abc (optional), zipimport (top-level) +excluded module named _frozen_importlib - imported by importlib (optional), importlib.abc (optional), zipimport (top-level) +missing module named nt - imported by shutil (conditional), importlib._bootstrap_external (conditional), ntpath (optional), os (delayed, conditional, optional), ctypes (delayed, conditional) +missing module named org - imported by pickle (optional) +missing module named 'java.lang' - imported by platform (delayed, optional), xml.sax._exceptions (conditional) +missing module named _winapi - imported by encodings (delayed, conditional, optional), ntpath (optional), subprocess (conditional), mimetypes (optional), multiprocessing.connection (optional), multiprocessing.spawn (delayed, conditional), multiprocessing.reduction (conditional), multiprocessing.shared_memory (conditional), multiprocessing.heap (conditional), multiprocessing.popen_spawn_win32 (top-level), asyncio.windows_events (top-level), asyncio.windows_utils (top-level) +missing module named multiprocessing.BufferTooShort - imported by multiprocessing (top-level), multiprocessing.connection (top-level) +missing module named multiprocessing.AuthenticationError - imported by multiprocessing (top-level), multiprocessing.connection (top-level) +missing module named multiprocessing.get_context - imported by multiprocessing (top-level), multiprocessing.pool (top-level), multiprocessing.managers (top-level), multiprocessing.sharedctypes (top-level) +missing module named multiprocessing.TimeoutError - imported by multiprocessing (top-level), multiprocessing.pool (top-level) +missing module named multiprocessing.set_start_method - imported by multiprocessing (top-level), multiprocessing.spawn (top-level) +missing module named multiprocessing.get_start_method - imported by multiprocessing (top-level), multiprocessing.spawn (top-level) +missing module named pyimod02_importers - imported by /opt/homebrew/lib/python3.11/site-packages/PyInstaller/hooks/rthooks/pyi_rth_pkgres.py (delayed), /opt/homebrew/lib/python3.11/site-packages/PyInstaller/hooks/rthooks/pyi_rth_pkgutil.py (delayed) +missing module named _manylinux - imported by pkg_resources._vendor.packaging._manylinux (delayed, optional), packaging._manylinux (delayed, optional) +missing module named jnius - imported by pkg_resources._vendor.platformdirs.android (delayed, optional) +missing module named platformdirs - imported by pkg_resources._vendor.platformdirs.__main__ (top-level) +missing module named 'pkg_resources.extern.importlib_resources' - imported by pkg_resources._vendor.jaraco.text (optional) +missing module named 'pkg_resources.extern.more_itertools' - imported by pkg_resources._vendor.jaraco.functools (top-level) +missing module named pkg_resources.extern.packaging - imported by pkg_resources.extern (top-level), pkg_resources (top-level) +missing module named pkg_resources.extern.platformdirs - imported by pkg_resources.extern (top-level), pkg_resources (top-level) +missing module named 'pkg_resources.extern.jaraco' - imported by pkg_resources (top-level), pkg_resources._vendor.jaraco.text (top-level) +missing module named vms_lib - imported by platform (delayed, optional) +missing module named java - imported by platform (delayed) +missing module named _winreg - imported by platform (delayed, optional) +missing module named simplejson - imported by requests.compat (conditional, optional) +missing module named dummy_threading - imported by requests.cookies (optional) +missing module named zstandard - imported by urllib3.response (optional), urllib3.util.request (optional) +missing module named brotli - imported by urllib3.response (optional), urllib3.util.request (optional) +missing module named brotlicffi - imported by urllib3.response (optional), urllib3.util.request (optional) +missing module named socks - imported by urllib3.contrib.socks (optional) +missing module named cryptography - imported by urllib3.contrib.pyopenssl (top-level), requests (conditional, optional) +missing module named 'OpenSSL.crypto' - imported by urllib3.contrib.pyopenssl (delayed, conditional) +missing module named 'cryptography.x509' - imported by urllib3.contrib.pyopenssl (delayed, optional) +missing module named OpenSSL - imported by urllib3.contrib.pyopenssl (top-level) +missing module named chardet - imported by requests.compat (optional), requests (optional), requests.packages (optional) +missing module named urllib3_secure_extra - imported by urllib3 (optional) +missing module named olefile - imported by PIL.FpxImagePlugin (top-level), PIL.MicImagePlugin (top-level) +missing module named _dummy_thread - imported by numpy.core.arrayprint (optional) +missing module named psutil - imported by numpy.testing._private.utils (delayed, optional) +missing module named numpy.core.result_type - imported by numpy.core (delayed), numpy.testing._private.utils (delayed) +missing module named numpy.core.float_ - imported by numpy.core (delayed), numpy.testing._private.utils (delayed) +missing module named numpy.core.number - imported by numpy.core (delayed), numpy.testing._private.utils (delayed) +missing module named numpy.core.object_ - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.testing._private.utils (delayed) +missing module named numpy.core.max - imported by numpy.core (delayed), numpy.testing._private.utils (delayed) +missing module named numpy.core.all - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.testing._private.utils (delayed) +missing module named numpy.core.errstate - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.testing._private.utils (delayed) +missing module named numpy.core.bool_ - imported by numpy.core (delayed), numpy.testing._private.utils (delayed) +missing module named numpy.core.inf - imported by numpy.core (delayed), numpy.testing._private.utils (delayed) +missing module named numpy.core.isnan - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.testing._private.utils (delayed) +missing module named numpy.core.array2string - imported by numpy.core (delayed), numpy.testing._private.utils (delayed) +missing module named numpy.lib.imag - imported by numpy.lib (delayed), numpy.testing._private.utils (delayed) +missing module named numpy.lib.real - imported by numpy.lib (delayed), numpy.testing._private.utils (delayed) +missing module named numpy.lib.iscomplexobj - imported by numpy.lib (delayed), numpy.testing._private.utils (delayed) +missing module named numpy.core.signbit - imported by numpy.core (delayed), numpy.testing._private.utils (delayed) +missing module named numpy.core.isscalar - imported by numpy.core (delayed), numpy.testing._private.utils (delayed), numpy.lib.polynomial (top-level) +missing module named win32pdh - imported by numpy.testing._private.utils (delayed, conditional) +missing module named numpy.core.array - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.testing._private.utils (top-level), numpy.lib.polynomial (top-level) +missing module named numpy.core.isnat - imported by numpy.core (top-level), numpy.testing._private.utils (top-level) +missing module named numpy.core.ndarray - imported by numpy.core (top-level), numpy.testing._private.utils (top-level), numpy.lib.utils (top-level) +missing module named numpy.core.array_repr - imported by numpy.core (top-level), numpy.testing._private.utils (top-level) +missing module named numpy.core.arange - imported by numpy.core (top-level), numpy.testing._private.utils (top-level), numpy.fft.helper (top-level) +missing module named numpy.core.empty - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.testing._private.utils (top-level), numpy.fft.helper (top-level) +missing module named numpy.core.float32 - imported by numpy.core (top-level), numpy.testing._private.utils (top-level) +missing module named numpy.core.intp - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.testing._private.utils (top-level) +missing module named _overlapped - imported by asyncio.windows_events (top-level) +missing module named asyncio.DefaultEventLoopPolicy - imported by asyncio (delayed, conditional), asyncio.events (delayed, conditional) +missing module named numpy.core.linspace - imported by numpy.core (top-level), numpy.lib.index_tricks (top-level) +missing module named numpy.core.iinfo - imported by numpy.core (top-level), numpy.lib.twodim_base (top-level) +missing module named numpy.core.transpose - imported by numpy.core (top-level), numpy.lib.function_base (top-level) +missing module named numpy.core.asarray - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.lib.utils (top-level), numpy.fft._pocketfft (top-level), numpy.fft.helper (top-level) +missing module named numpy.core.integer - imported by numpy.core (top-level), numpy.fft.helper (top-level) +missing module named numpy.core.sqrt - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.fft._pocketfft (top-level) +missing module named numpy.core.conjugate - imported by numpy.core (top-level), numpy.fft._pocketfft (top-level) +missing module named numpy.core.swapaxes - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.fft._pocketfft (top-level) +missing module named numpy.core.zeros - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.fft._pocketfft (top-level) +missing module named _ufunc - imported by numpy._typing (conditional) +missing module named numpy.core.reciprocal - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.sort - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.argsort - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.sign - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.count_nonzero - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.divide - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.matmul - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.asanyarray - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.atleast_2d - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.prod - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.amax - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.amin - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.moveaxis - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.geterrobj - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.finfo - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.lib.polynomial (top-level) +missing module named numpy.core.isfinite - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.sum - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.multiply - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.add - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.dot - imported by numpy.core (top-level), numpy.linalg.linalg (top-level), numpy.lib.polynomial (top-level) +missing module named numpy.core.Inf - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.newaxis - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.complexfloating - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.inexact - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.cdouble - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.csingle - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.double - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.single - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.intc - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named numpy.core.empty_like - imported by numpy.core (top-level), numpy.linalg.linalg (top-level) +missing module named threadpoolctl - imported by numpy.lib.utils (delayed, optional) +missing module named numpy.core.ufunc - imported by numpy.core (top-level), numpy.lib.utils (top-level) +missing module named numpy.core.ones - imported by numpy.core (top-level), numpy.lib.polynomial (top-level) +missing module named numpy.core.hstack - imported by numpy.core (top-level), numpy.lib.polynomial (top-level) +missing module named numpy.core.atleast_1d - imported by numpy.core (top-level), numpy.lib.polynomial (top-level) +missing module named numpy.core.atleast_3d - imported by numpy.core (top-level), numpy.lib.shape_base (top-level) +missing module named numpy.core.vstack - imported by numpy.core (top-level), numpy.lib.shape_base (top-level) +missing module named pickle5 - imported by numpy.compat.py3k (optional) +missing module named numpy.eye - imported by numpy (delayed), numpy.core.numeric (delayed) +missing module named numpy.recarray - imported by numpy (top-level), numpy.lib.recfunctions (top-level), numpy.ma.mrecords (top-level) +missing module named numpy.expand_dims - imported by numpy (top-level), numpy.ma.core (top-level) +missing module named numpy.array - imported by numpy (top-level), numpy.ma.core (top-level), numpy.ma.extras (top-level), numpy.ma.mrecords (top-level) +missing module named numpy.iscomplexobj - imported by numpy (top-level), numpy.ma.core (top-level) +missing module named numpy.amin - imported by numpy (top-level), numpy.ma.core (top-level) +missing module named numpy.amax - imported by numpy (top-level), numpy.ma.core (top-level) +missing module named numpy.isinf - imported by numpy (top-level), numpy.testing._private.utils (top-level) +missing module named numpy.isnan - imported by numpy (top-level), numpy.testing._private.utils (top-level) +missing module named numpy.isfinite - imported by numpy (top-level), numpy.testing._private.utils (top-level) +missing module named numpy.float64 - imported by numpy (top-level), numpy.array_api._typing (top-level) +missing module named numpy.float32 - imported by numpy (top-level), numpy.array_api._typing (top-level) +missing module named numpy.uint64 - 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