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Removed the dependency on the nonotify module
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egonw committed Jun 23, 2010
1 parent a9a4aa8 commit 93e0a22
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Showing 3 changed files with 7 additions and 11 deletions.
Expand Up @@ -27,7 +27,6 @@
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.IBond;
import org.openscience.cdk.interfaces.IChemObjectBuilder;
import org.openscience.cdk.nonotify.NoNotificationChemObjectBuilder;

import signature.AbstractGraphBuilder;

Expand All @@ -51,13 +50,6 @@ public class MoleculeFromSignatureBuilder extends AbstractGraphBuilder {
*/
private IAtomContainer container;

/**
* This default constructor uses a {@link NoNotificationChemObjectBuilder}
*/
public MoleculeFromSignatureBuilder() {
this.builder = NoNotificationChemObjectBuilder.getInstance();
}

/**
* Uses the chem object builder for making molecules.
*
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7 changes: 5 additions & 2 deletions src/main/org/openscience/cdk/signature/MoleculeSignature.java
Expand Up @@ -27,6 +27,7 @@

import org.openscience.cdk.annotations.TestClass;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.IChemObjectBuilder;
import org.openscience.cdk.interfaces.IMolecule;

import signature.AbstractGraphSignature;
Expand Down Expand Up @@ -121,12 +122,14 @@ public List<Orbit> calculateOrbits() {
* strings.
*
* @param signatureString the signature string to use
* @param coBuilder {@link IChemObjectBuilder} to build the returned atom container from
* @return an atom container
*/
public static IAtomContainer fromSignatureString(String signatureString) {
public static IAtomContainer fromSignatureString(String signatureString,
IChemObjectBuilder coBuilder) {
ColoredTree tree = AtomSignature.parse(signatureString);
MoleculeFromSignatureBuilder builder =
new MoleculeFromSignatureBuilder();
new MoleculeFromSignatureBuilder(coBuilder);
builder.makeFromColoredTree(tree);
return builder.getAtomContainer();
}
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Expand Up @@ -28,6 +28,7 @@
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.IBond;
import org.openscience.cdk.nonotify.NoNotificationChemObjectBuilder;

import signature.AbstractVertexSignature;
import signature.ColoredTree;
Expand All @@ -52,7 +53,7 @@ public String canonicalSignature(IAtomContainer atomContainer) {
public IAtomContainer reconstruct(String signature) {
ColoredTree tree = AbstractVertexSignature.parse(signature);
MoleculeFromSignatureBuilder builder =
new MoleculeFromSignatureBuilder();
new MoleculeFromSignatureBuilder(NoNotificationChemObjectBuilder.getInstance());
builder.makeFromColoredTree(tree);
return builder.getAtomContainer();
}
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