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ScaledResultMatch.java
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ScaledResultMatch.java
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package net.bioclipse.ds.impl.result;
import java.util.HashMap;
import java.util.Map;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IAtomContainer;
import net.bioclipse.ds.DSConstants;
/**
*
* @author ola
*/
public class ScaledResultMatch extends SubStructureMatch{
private Map<IAtom, Integer> resultMap;
public ScaledResultMatch(String name, int resultStatus) {
super( name, resultStatus );
}
public void setResultMap( Map<IAtom, Integer> resulMap ) {
this.resultMap = resulMap;
}
public Map<IAtom, Integer> getResultMap() {
return resultMap;
}
public void putAtomResult( IAtom atomToAdd, Integer result ) {
if (resultMap==null) resultMap=new HashMap<IAtom, Integer>();
resultMap.put( atomToAdd, result );
}
/**
* Serialize resultmap to property on AC
*/
public void writeResultsAsProperties(IAtomContainer ac, String propertyKey){
if (ac==null) return;
if (resultMap==null || resultMap.isEmpty()) return;
String prop="";
for (IAtom atom : resultMap.keySet()){
int no=ac.getAtomNumber( atom );
int res=resultMap.get( atom );
if (prop.length()==0){ //first
prop=prop+ no + "," + res;
}else{
prop=prop+ ";" + no + "," + res;
}
}
ac.getProperties().put( propertyKey, prop );
setResultProperty( propertyKey );
}
}