Hi together,

is there any document or knowledge available about which QSAR descriptor is thread safe or not. I have found out that the AminoAcidCountDescriptor Constructor is not and I have not the time to test all of them.
It throws following exception:
ERROR 2010-11-18 12:45:31,677 (System.err:139) - java.lang.NullPointerException
ERROR 2010-11-18 12:45:31,677 (System.err:139) -     at org.openscience.cdk.qsar.descriptors.molecular.AminoAcidCountDescriptor.<init>(AminoAcidCountDescriptor.java:82)
ERROR 2010-11-18 12:45:31,678 (System.err:139) -     at org.openscience.cdk.applications.taverna.qsar.descriptors.molecular.AminoAcidCount.getDescriptor(AminoAcidCount.java:46)
ERROR 2010-11-18 12:45:31,678 (System.err:139) -     at org.openscience.cdk.applications.taverna.qsar.QSARDescriptorWorker.run(QSARDescriptorWorker.java:122)

The reason is that the marked var is static.

    private static AminoAcid[] aminoAcids = null;
    public final static String RESIDUE_NAME = "residueName";
    public final static String RESIDUE_NAME_SHORT = "residueNameShort";
    public final static String NO_ATOMS = "noOfAtoms";
    public final static String NO_BONDS = "noOfBonds";
    public final static String ID = "id";
     * Creates amino acid AminoAcid objects.
     * @return aminoAcids, a HashMap containing the amino acids as AminoAcids.
    public static AminoAcid[] createAAs() {
        if (aminoAcids != null) {
            return aminoAcids;
        // Create set of AtomContainers
        aminoAcids = new AminoAcid[20];