Minor clean up in SMILES Writing double bond canonicalization#8971
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greglandrum merged 3 commits intordkit:masterfrom Dec 3, 2025
Merged
Minor clean up in SMILES Writing double bond canonicalization#8971greglandrum merged 3 commits intordkit:masterfrom
greglandrum merged 3 commits intordkit:masterfrom
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greglandrum
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Dec 30, 2025
* move firstVisitOrder into lambda * remove extra bond switch * modernize loop
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As I look through SMILES writing code for #8968, I'm noticing some things that can be cleaned up. In this PR I'm suggesting some minor refactors with no functional change:
firstVisitOrderdeclaration/reset into thefindNeighborBondslamba, since it's only used there, and it needs to be reset before each usage.! setFromBond1branch. This makes theE/TRANS/Z/CISdecision more intuitive, and also makes it simillar to the one in the other branch, making it easier to abstract into a separate function in a future refactor.atomBondsvariable by modernizing the loop where it is uses.