From ac822d64389de1c8e9bdb96622107c2995908f19 Mon Sep 17 00:00:00 2001 From: greg landrum Date: Tue, 4 Jan 2022 15:03:22 +0100 Subject: [PATCH] Fixes #106 --- sketcherMinimizerAtom.cpp | 1 + 1 file changed, 1 insertion(+) diff --git a/sketcherMinimizerAtom.cpp b/sketcherMinimizerAtom.cpp index 10c07dc..95016c0 100644 --- a/sketcherMinimizerAtom.cpp +++ b/sketcherMinimizerAtom.cpp @@ -360,6 +360,7 @@ sketcherMinimizerAtom::clockwiseOrderedNeighbors() const while (!neighs.empty()) { float smallestAngle = 361; + lastPoppedIndex = 0; for (unsigned int i = 0; i < neighs.size(); i++) { float newAngle = sketcherMinimizerMaths::signedAngle( lastPoppedAtom->coordinates, coordinates,