SMARTS bits - #896
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…g exclusive matches.
…The getLastErrorMesg() is no longer thread safe but can be used in simple usages, the SmartsResult should be used in threaded environments.
…ols may wish to treat "simple" expressions (i.e. not in square brackets) differently.
… filter before we apply it.
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Odd passes OK locally |
…ferent between unique atoms (more efficient) and unique atom sets and both can be useful. Consider matching OSO against OS(*)(O)O, there are 2 unique matches over the atoms but 3 over the set of atoms (i.e. we see a new combinatation).
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Perhaps need to think what is the most sensible default for unique atoms vs unique atom sets. |
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They didn't :-) |
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Kudos, SonarCloud Quality Gate passed! |
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Looks good to me. |
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Testing other toolkits I thin I will reverse the Unique filtering naming. Most do consider (0,1,2), (0,1,3) and (2,1,3) to be unique. |
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Been working on something fun when I was on Holiday which made me realise some updates to the SMARTS/Query APIs would be needed.