SMARTS bits #896
Merged
SMARTS bits #896
Conversation
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
…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.
|
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).
|
Perhaps need to think what is the most sensible default for unique atoms vs unique atom sets. |
They didn't :-) |
|
Kudos, SonarCloud Quality Gate passed! |
|
Looks good to me. |
|
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. |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
2 participants
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Been working on something fun when I was on Holiday which made me realise some updates to the SMARTS/Query APIs would be needed.