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Reverse a previous change, structures like vancomycin should good tho…
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…ugh the identity templates.
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johnmay committed Feb 10, 2017
1 parent 2764910 commit cb6466b
Showing 1 changed file with 3 additions and 1 deletion.
Original file line number Diff line number Diff line change
Expand Up @@ -52,6 +52,7 @@
import org.openscience.cdk.sgroup.SgroupBracket;
import org.openscience.cdk.sgroup.SgroupKey;
import org.openscience.cdk.sgroup.SgroupType;
import org.openscience.cdk.smiles.SmilesGenerator;
import org.openscience.cdk.tools.ILoggingTool;
import org.openscience.cdk.tools.LoggingToolFactory;
import org.openscience.cdk.tools.manipulator.AtomContainerManipulator;
Expand Down Expand Up @@ -1503,7 +1504,8 @@ private int layoutRingSet(Vector2d firstBondVector, IRingSet rs) {
int result = 0;

// Check for an exact match (identity) on the entire ring system
if (!macro && lookupRingSystem(rs, molecule, rs.getAtomContainerCount() > 1)) {
// XXX: should avoid if we have db stereo in macrocycle!
if (lookupRingSystem(rs, molecule, rs.getAtomContainerCount() > 1)) {
for (IAtomContainer container : rs.atomContainers())
container.setFlag(CDKConstants.ISPLACED, true);
rs.setFlag(CDKConstants.ISPLACED, true);
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