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Replaced IMoleculeSet with IAtomContainerSet, fixing a compile issue
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egonw committed Nov 25, 2011
1 parent 7223cfb commit 2ac19f1
Showing 1 changed file with 1 addition and 1 deletion.
Expand Up @@ -119,7 +119,7 @@ public static Rectangle2D calculateBounds(IReaction reaction) {
* @return the bounding rectangle of the molecule set
*/
@TestMethod("testCalculateBounds_IMoleculeSet")
public static Rectangle2D calculateBounds(IMoleculeSet moleculeSet) {
public static Rectangle2D calculateBounds(IAtomContainerSet moleculeSet) {
Rectangle2D totalBounds = new Rectangle2D.Double();
for (int i = 0; i < moleculeSet.getAtomContainerCount(); i++) {
IAtomContainer container = moleculeSet.getAtomContainer(i);
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