Revised amino acid similarity function. #267
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added 10 commits
June 2, 2023 18:31
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primaryodors
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Jun 3, 2023
primaryodors
approved these changes
Jun 3, 2023
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This PR revises AminoAcid::similarity_to() to use a per atom similarity algorithm with additional factors for matching hydrophilicity and charge. Amino acid similarities, like atom similarities, now fall in the range of zero to unity. The group classes have been updated to accommodate this new feature.
Additionally, the numerous amino tests have been replaced with one comprehensive test that compares all 21 aminos (selenocysteine being the extra member) in a grid format. The numerous one-at-a-time amino tests have been obviated and removed from the test folder, making it a little more tidy.