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lines changed Original file line number Diff line number Diff line change @@ -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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+
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+ ### Fixed
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+ - Fixed type errors related to ConformerEnsemble and Python 3.8
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+
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## [ 0.7.0] - 2022-06-22
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### Added
Original file line number Diff line number Diff line change @@ -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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Original file line number Diff line number Diff line change 8
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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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