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Changed DeduceBondSystemTool to FixBondOrdersTool
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olas committed Jul 9, 2012
1 parent b4a2d54 commit 129a585
Showing 1 changed file with 2 additions and 2 deletions.
Expand Up @@ -2022,7 +2022,7 @@ public List<ICDKMolecule> loadSMILESFile( InputStream contents,
throw new IOException("Input was not ready to be read.");
}
List<ICDKMolecule> molecules = new ArrayList<ICDKMolecule>();
DeduceBondSystemTool bondSystemTool = new DeduceBondSystemTool();
FixBondOrdersTool bondOrderTool = new FixBondOrdersTool();
List<String> lines = new LinkedList<String>();
for ( String line = breader.readLine() ;
line != null ;
Expand Down Expand Up @@ -2115,7 +2115,7 @@ public List<ICDKMolecule> loadSMILESFile( InputStream contents,

try {
org.openscience.cdk.interfaces.IMolecule newAC
= bondSystemTool.fixAromaticBondOrders(
= bondOrderTool.kekuliseAromaticRings(
(org.openscience.cdk.interfaces.IMolecule)
mol.getAtomContainer() );
mol = new CDKMolecule(newAC);
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