maicos 0.12__py3-none-any.whl

maicos/__init__.py

@@ -0,0 +1,19 @@
+#!/usr/bin/env python
+#
+# Copyright (c) 2026 Authors and contributors
+# (see the AUTHORS.rst file for the full list of names)
+#
+# Released under the GNU Public Licence, v3 or any higher version
+# SPDX-License-Identifier: GPL-3.0-or-later
+"""MAICoS: Molecular Analysis of Interfacial and COnfined Systems."""
+
+import warnings
+
+from ._version import __version__  # noqa: F401
+from .modules import *  # noqa: F403
+from .modules import __all__ as __all__
+
+__authors__ = "MAICoS Developer Team"
+
+# Print maicos DeprecationWarnings
+warnings.filterwarnings(action="once", category=DeprecationWarning, module="maicos")

maicos/__main__.py

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+#!/usr/bin/env python
+#
+# Copyright (c) 2026 Authors and contributors
+# (see the AUTHORS.rst file for the full list of names)
+#
+# Released under the GNU Public Licence, v3 or any higher version
+# SPDX-License-Identifier: GPL-3.0-or-later
+"""Analyse molecular dynamics simulation of interfacial and confined systems."""
+
+from mdacli import cli
+
+from maicos import __version__
+from maicos.core import AnalysisBase
+
+
+def main():
+    """Execute main CLI entry point."""
+    cli(
+        name="MAICoS",
+        module_list=["maicos"],
+        base_class=AnalysisBase,
+        version=__version__,
+        description=__doc__,
+        ignore_warnings=True,
+    )
+
+
+if __name__ == "__main__":
+    main()

maicos/_version.py

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+# file generated by setuptools-scm
+# don't change, don't track in version control
+
+__all__ = [
+    "__version__",
+    "__version_tuple__",
+    "version",
+    "version_tuple",
+    "__commit_id__",
+    "commit_id",
+]
+
+TYPE_CHECKING = False
+if TYPE_CHECKING:
+    from typing import Tuple
+    from typing import Union
+
+    VERSION_TUPLE = Tuple[Union[int, str], ...]
+    COMMIT_ID = Union[str, None]
+else:
+    VERSION_TUPLE = object
+    COMMIT_ID = object
+
+version: str
+__version__: str
+__version_tuple__: VERSION_TUPLE
+version_tuple: VERSION_TUPLE
+commit_id: COMMIT_ID
+__commit_id__: COMMIT_ID
+
+__version__ = version = '0.12'
+__version_tuple__ = version_tuple = (0, 12)
+
+__commit_id__ = commit_id = None

maicos/core/__init__.py

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+#!/usr/bin/env python
+#
+# Copyright (c) 2026 Authors and contributors
+# (see the AUTHORS.rst file for the full list of names)
+#
+# Released under the GNU Public Licence, v3 or any higher version
+# SPDX-License-Identifier: GPL-3.0-or-later
+"""These Modules build the core of other MAICoS modules."""
+
+__all__ = [
+    "AnalysisBase",
+    "AnalysisCollection",
+    "ProfileBase",
+    "CylinderBase",
+    "ProfileCylinderBase",
+    "PlanarBase",
+    "ProfilePlanarBase",
+    "SphereBase",
+    "ProfileSphereBase",
+]
+
+from .base import AnalysisBase, AnalysisCollection, ProfileBase
+from .cylinder import CylinderBase, ProfileCylinderBase
+from .planar import PlanarBase, ProfilePlanarBase
+from .sphere import ProfileSphereBase, SphereBase