Optimize secondary structure #833
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Signed-off-by: Aritz Erkiaga <aerkiaga3@gmail.com>
Signed-off-by: Aritz Erkiaga <aerkiaga3@gmail.com>
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Here are the build results |
ghutchis
added
the
speed
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This pull request has been mentioned on Avogadro Discussion. There might be relevant details there: https://discuss.avogadro.cc/t/april-2022-development-progress/3786/1 |
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This relatively small change makes secondary structure perception much faster, and thus PDB import up to a further 2x on top of #832 and #829, resulting in a 35 - 50 times faster load time with all three applied.
Since
residueJwas not declaredconst, the compiler was emitting constructors and destructors that were being run on every iteration of the inner loop, taking up a large part of the total processing time according tocallgrind.Developer Certificate of Origin
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