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Backport for cdk-1.4.x: use IMolecule in IMoleculeSet
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Change-Id: I110f4bc5078de535f8840eae811ad69752503b39
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egonw committed Aug 5, 2013
1 parent 5d8f2f8 commit 1e0cfdb
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/main/org/openscience/cdk/io/cml/CMLReactionModule.java
Expand Up @@ -135,7 +135,7 @@ public void startElement(CMLStack xpath, String uri, String local, String raw, A
// if there was no molecule create a new one for the reference. this
// happens when the reaction is defined before the molecule set
if (atomC == null) {
atomC = currentChemFile.getBuilder().newInstance(IAtomContainer.class);
atomC = currentChemFile.getBuilder().newInstance(IMolecule.class);
atomC.setID(ref);
currentMoleculeSet.addAtomContainer(atomC);
}
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