FragIsomorphNode.java

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package denoptim.graph;
 
import javax.vecmath.Point3d;
 
import org.openscience.cdk.interfaces.IAtom;
 
import denoptim.utils.MoleculeUtils;
 
public class FragIsomorphNode
{
    String label = "none";
    
    Object original;
    
    boolean isAtm = true;
 
//------------------------------------------------------------------------------
    
    public FragIsomorphNode(IAtom atm)
    {
        this.original = atm;
        this.label = MoleculeUtils.getSymbolOrLabel(atm);
        this.isAtm = true;
    }
  
//------------------------------------------------------------------------------
    
    public FragIsomorphNode(AttachmentPoint ap)
    {
        this.original = ap;
        this.label = ap.getAPClass().toString();
        this.isAtm = false;
    }
 
//------------------------------------------------------------------------------
    
    public String getLabel()
    {
        return label;
    }
 
//------------------------------------------------------------------------------
    
    public Object getOriginal()
    {
        return original;
    }
 
//------------------------------------------------------------------------------
    
    public boolean isAtm()
    {
        return isAtm;
    }
 
//------------------------------------------------------------------------------
    
    public Point3d getPoint3d()
    {
        if (original instanceof AttachmentPoint)
            return ((AttachmentPoint) original).getDirectionVector();
        if (original instanceof IAtom)
            return MoleculeUtils.getPoint3d((IAtom) original);
        return null;
    }
 
//------------------------------------------------------------------------------
    
}