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Qubit-Candidate

summary.py

The search(args) function finds molecules that fit in the boundaries (declared in args) from the list of molecules declared in the sum file.

To run this function, you can call the file and specify the boundaries after the file name as such:

python3 summary.py 1.0 2.5

or import the function as such:

from summary import search

search(sum_file='sum', folder='', boundaries=(1.0, 2.0), out='res.txt')

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