search

SiMolecule / centres

Perception and labelling of stereogenic centres in chemical structures
BSD 2-Clause "Simplified" License
16 stars 3 forks source link

Likely typo in Rule4b.java #1

Closed greglandrum closed 4 years ago

greglandrum commented 4 years ago

https://github.com/SiMolecule/centres/blob/33e09a3a40bd766008acc18fdd939209b529b82c/core/src/main/java/com/simolecule/centres/rules/Rule4b.java#L384

This line likely should be:

          int cmp = list1.get(i).compareTo(list2.get(i));

noticed while doing the RDKit "port" of this.

johnmay commented 4 years ago

Yes looks that way, been a while but IIRC Rule 4b is a bit of a mess and is where most of the corner-cases, complexities and revisions are.

Have fixed - thanks.