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Correct way of masking out an option.
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johnmay committed Aug 16, 2016
1 parent 3258251 commit da1f2b4
Showing 1 changed file with 3 additions and 3 deletions.
Expand Up @@ -564,9 +564,9 @@ public String create(IReaction reaction, int[] ordering) throws CDKException {
}

// we need to make sure we generate without the CXSMILES layers
String smi = create(reactantPart, flavour ^ SmiFlavour.CxSmilesWithCoords, reactantOrder) + ">" +
create(agentPart, flavour ^ SmiFlavour.CxSmilesWithCoords, agentOrder) + ">" +
create(productPart, flavour ^ SmiFlavour.CxSmilesWithCoords, productOrder);
String smi = create(reactantPart, flavour &~ SmiFlavour.CxSmilesWithCoords, reactantOrder) + ">" +
create(agentPart, flavour &~ SmiFlavour.CxSmilesWithCoords, agentOrder) + ">" +
create(productPart, flavour &~ SmiFlavour.CxSmilesWithCoords, productOrder);

// copy ordering back to unified array and adjust values
int agentBeg = reactantOrder.length;
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