diff --git a/tool/sdg/src/main/java/org/openscience/cdk/layout/StructureDiagramGenerator.java b/tool/sdg/src/main/java/org/openscience/cdk/layout/StructureDiagramGenerator.java index 5b56c37ca8..be5578ccf1 100644 --- a/tool/sdg/src/main/java/org/openscience/cdk/layout/StructureDiagramGenerator.java +++ b/tool/sdg/src/main/java/org/openscience/cdk/layout/StructureDiagramGenerator.java @@ -1045,6 +1045,16 @@ private void selectOrientation(IAtomContainer mol, double widthDiff, int alignDi Point2d pivot = new Point2d(minmax[0] + ((minmax[2] - minmax[0]) / 2), minmax[1] + ((minmax[3] - minmax[1]) / 2)); + // n=1 + if (bonds.size() == 1) { + IBond bond = bonds.get(0); + Point2d beg = bond.getBegin().getPoint2d(); + Point2d end = bond.getEnd().getPoint2d(); + double dx = beg.x - end.x; + double dy = beg.y - end.y; + GeometryUtil.rotate(mol, pivot, Math.atan2(dx, dy) + Math.PI/2); + return; + } int[] dirhist = new int[180];