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mol.write folder not found #13

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fiszczyp opened this issue May 16, 2019 · 1 comment
Closed

mol.write folder not found #13

fiszczyp opened this issue May 16, 2019 · 1 comment

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@fiszczyp
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When using population.write(), the output folder is created when it does not exist. In contrast, molecule.write() requires the folder to exist, otherwise a FileNotFoundError is raised.

@lukasturcani
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This is intended behaviour. Population.write writes the folder, whereas Molecule.write writes the file.
Population is a collection of molecules which is why it writes a folder. A Population is to a Molecule what a folder is to a file.

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