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Fix cast errors for python 3.8 (#42)
* Fix cast errors for python 3.8
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CHANGELOG.md

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@@ -6,6 +6,11 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
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## [Unreleased]
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## [0.7.1] - 2022-06-27
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### Fixed
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- Fixed type errors related to ConformerEnsemble and Python 3.8
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## [0.7.0] - 2022-06-22
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### Added

morfeus/conformer.py

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@@ -338,7 +338,7 @@ def add_inverted(self) -> ConformerEnsemble:
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if not all([isinstance(energy, float) for energy in energies]):
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self._add_conformers(conformer_coordinates)
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else:
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energies_ = cast(list[float], energies)
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energies_ = cast("list[float]", energies)
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self.add_conformers(conformer_coordinates, energies_)
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return self
@@ -1140,7 +1140,7 @@ def sort(self) -> ConformerEnsemble:
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energies = [conformer.energy for conformer in self.conformers]
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if not all([isinstance(energy, float) for energy in energies]):
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raise ValueError("Not all conformers have energies.")
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energies = cast(list[float], energies)
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energies = cast("list[float]", energies)
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indices = np.argsort(energies)
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self.conformers = [self.conformers[i] for i in indices]
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setup.py

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@@ -8,7 +8,7 @@
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setuptools.setup(
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name="morfeus-ml",
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version="0.7.0",
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version="0.7.1",
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author="Kjell Jorner",
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author_email="kjell.jorner@gmail.com",
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description=DESCRIPTION,

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