epam / epam/Indigo

Use implicitHCount in SMILES for all cases

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#1,117 0 comments 0 reactions 1 assignee Claimed by @even1024 View on GitHub
Improvement
Dominant language
C++
Stars
406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

**Background**
Currently implicitHCount is used only for the specific cases when an atom with implicitHCount is connected to aromatic ring.
In all other cases the radical property is modified to compensate missing hydrogens. For instance in the following SMILES: [C]1-[C]=[C]-[C]=[C]-[C]=1 the carbon atoms got modified radical property.

**Solution**
Avoid the workaround with radicals and use implicitHCount where it's possible instead. Radicals should appear only when molecule is written into a mol-file.

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