Skip to content

Commit

Permalink
Browse files Browse the repository at this point in the history
Replaced NNAtomContainer with SilentChemObjetBuilder
  • Loading branch information
goglepox committed Aug 21, 2012
1 parent b32e93d commit e9198f2
Show file tree
Hide file tree
Showing 2 changed files with 4 additions and 3 deletions.
3 changes: 2 additions & 1 deletion plugins/net.bioclipse.cdk.ui.sdfeditor/META-INF/MANIFEST.MF
Expand Up @@ -34,7 +34,8 @@ Require-Bundle: org.eclipse.ui,
org.openscience.cdk.rendercontrol,
net.sourceforge.nattable.core,
org.openscience.cdk.renderswt,
org.openscience.cdk.extra
org.openscience.cdk.extra,
org.openscience.cdk.silent;bundle-version="1.4.10"
Bundle-ActivationPolicy: lazy
Import-Package: net.bioclipse.inchi.business,
org.apache.log4j
Expand Down
Expand Up @@ -19,7 +19,7 @@
import org.apache.log4j.Logger;
import org.openscience.cdk.fingerprint.Fingerprinter;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.nonotify.NNAtomContainer;
import org.openscience.cdk.silent.SilentChemObjectBuilder;

/**
* @author arvid
Expand All @@ -31,7 +31,7 @@ public BitSet calculate( ICDKMolecule molecule ) {

Fingerprinter fp=new Fingerprinter();
try {
IAtomContainer ac = new NNAtomContainer(molecule.getAtomContainer());
IAtomContainer ac = SilentChemObjectBuilder.getInstance().newInstance(IAtomContainer.class, molecule.getAtomContainer());
BitSet fingerprint=fp.getFingerprint(ac);
return fingerprint;
} catch (Throwable e) {
Expand Down

0 comments on commit e9198f2

Please sign in to comment.