1. Daniel Lowe
  2. OPSIN
Issue #15 resolved

Add support for detecting substitution ambiguity

Daniel Lowe
repo owner created an issue

The most common source of ambiguity in names is substitution ambiguity. At the point of multiplying substituents for unlocanted substitution the StereoAnalyser should be used to detect the number of degenerate substitutable hydrogens and assure that the multiplier is this number (or 1 less e.g. pentachlorobenzene is also unambiguous)

Ambiguity detection would be off by default, and produce a result status of WARNING if detected.

Comments (2)

  1. Daniel Lowe reporter

    Ambiguity detection is actually pretty cheap (as it's only performed in cases where a potentially ambiguous decision is perfomed) so probably having it always on makes sense

  2. Log in to comment