test_class.file: descriptor/fingerprint/src/test/java/org/openscience/cdk/fingerprint/ExtendedFingerprinterTest.java
test_class.identifier: ExtendedFingerprinterTest
test_class.superclass: extends AbstractFixedLengthFingerprinterTest
test_case.body: @Test
      public void testCondensedSingle() throws Exception {
          IAtomContainer molcondensed = new AtomContainer();
          IAtom a1 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a1.setPoint2d(new Point2d(421.99999999999994, 860.0));
          molcondensed.addAtom(a1);
          IAtom a2 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a2.setPoint2d(new Point2d(390.8230854637602, 878.0));
          molcondensed.addAtom(a2);
          IAtom a3 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a3.setPoint2d(new Point2d(390.8230854637602, 914.0));
          molcondensed.addAtom(a3);
          IAtom a4 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a4.setPoint2d(new Point2d(422.0, 932.0));
          molcondensed.addAtom(a4);
          IAtom a5 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a5.setPoint2d(new Point2d(453.1769145362398, 914.0));
          molcondensed.addAtom(a5);
          IAtom a6 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a6.setPoint2d(new Point2d(453.1769145362398, 878.0));
          molcondensed.addAtom(a6);
          IAtom a7 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a7.setPoint2d(new Point2d(484.3538290724796, 860.0));
          molcondensed.addAtom(a7);
          IAtom a8 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a8.setPoint2d(new Point2d(515.5307436087194, 878.0));
          molcondensed.addAtom(a8);
          IAtom a9 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a9.setPoint2d(new Point2d(515.5307436087194, 914.0));
          molcondensed.addAtom(a9);
          IAtom a10 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a10.setPoint2d(new Point2d(484.3538290724796, 932.0));
          molcondensed.addAtom(a10);
          IAtom a11 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a11.setPoint2d(new Point2d(546.7076581449592, 932.0));
          molcondensed.addAtom(a11);
          IAtom a12 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a12.setPoint2d(new Point2d(577.884572681199, 914.0));
          molcondensed.addAtom(a12);
          IAtom a13 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a13.setPoint2d(new Point2d(577.884572681199, 878.0));
          molcondensed.addAtom(a13);
          IAtom a14 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a14.setPoint2d(new Point2d(546.7076581449592, 860.0));
          molcondensed.addAtom(a14);
          IAtom a15 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a15.setPoint2d(new Point2d(359.6461709275204, 860.0));
          molcondensed.addAtom(a15);
          IAtom a16 = molcondensed.getBuilder().newInstance(IAtom.class, "C");
          a16.setPoint2d(new Point2d(609.0614872174388, 860.0));
          molcondensed.addAtom(a16);
          IBond b1 = molcondensed.getBuilder().newInstance(IBond.class, a1, a2, IBond.Order.SINGLE);
          molcondensed.addBond(b1);
          IBond b2 = molcondensed.getBuilder().newInstance(IBond.class, a2, a3, IBond.Order.SINGLE);
          molcondensed.addBond(b2);
          IBond b3 = molcondensed.getBuilder().newInstance(IBond.class, a3, a4, IBond.Order.SINGLE);
          molcondensed.addBond(b3);
          IBond b4 = molcondensed.getBuilder().newInstance(IBond.class, a4, a5, IBond.Order.SINGLE);
          molcondensed.addBond(b4);
          IBond b5 = molcondensed.getBuilder().newInstance(IBond.class, a5, a6, IBond.Order.SINGLE);
          molcondensed.addBond(b5);
          IBond b6 = molcondensed.getBuilder().newInstance(IBond.class, a6, a1, IBond.Order.SINGLE);
          molcondensed.addBond(b6);
          IBond b7 = molcondensed.getBuilder().newInstance(IBond.class, a6, a7, IBond.Order.SINGLE);
          molcondensed.addBond(b7);
          IBond b8 = molcondensed.getBuilder().newInstance(IBond.class, a7, a8, IBond.Order.SINGLE);
          molcondensed.addBond(b8);
          IBond b9 = molcondensed.getBuilder().newInstance(IBond.class, a8, a9, IBond.Order.SINGLE);
          molcondensed.addBond(b9);
          IBond b10 = molcondensed.getBuilder().newInstance(IBond.class, a9, a10, IBond.Order.SINGLE);
          molcondensed.addBond(b10);
          IBond b11 = molcondensed.getBuilder().newInstance(IBond.class, a10, a5, IBond.Order.SINGLE);
          molcondensed.addBond(b11);
          IBond b12 = molcondensed.getBuilder().newInstance(IBond.class, a9, a11, IBond.Order.SINGLE);
          molcondensed.addBond(b12);
          IBond b13 = molcondensed.getBuilder().newInstance(IBond.class, a11, a12, IBond.Order.SINGLE);
          molcondensed.addBond(b13);
          IBond b14 = molcondensed.getBuilder().newInstance(IBond.class, a12, a13, IBond.Order.SINGLE);
          molcondensed.addBond(b14);
          IBond b15 = molcondensed.getBuilder().newInstance(IBond.class, a13, a14, IBond.Order.SINGLE);
          molcondensed.addBond(b15);
          IBond b16 = molcondensed.getBuilder().newInstance(IBond.class, a14, a8, IBond.Order.SINGLE);
          molcondensed.addBond(b16);
          IBond b17 = molcondensed.getBuilder().newInstance(IBond.class, a2, a15, IBond.Order.SINGLE);
          molcondensed.addBond(b17);
          IBond b18 = molcondensed.getBuilder().newInstance(IBond.class, a13, a16, IBond.Order.SINGLE);
          molcondensed.addBond(b18);
  
          IAtomContainer molsingle = new AtomContainer();
          IAtom a1s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a1s.setPoint2d(new Point2d(421.99999999999994, 860.0));
          molsingle.addAtom(a1s);
          IAtom a2s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a2s.setPoint2d(new Point2d(390.8230854637602, 878.0));
          molsingle.addAtom(a2s);
          IAtom a6s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a6s.setPoint2d(new Point2d(453.1769145362398, 878.0));
          molsingle.addAtom(a6s);
          IAtom a3s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a3s.setPoint2d(new Point2d(390.8230854637602, 914.0));
          molsingle.addAtom(a3s);
          IAtom a15s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a15s.setPoint2d(new Point2d(359.6461709275204, 860.0));
          molsingle.addAtom(a15s);
          IAtom a5s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a5s.setPoint2d(new Point2d(453.1769145362398, 914.0));
          molsingle.addAtom(a5s);
          IAtom a7s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a7s.setPoint2d(new Point2d(492.8230854637602, 881.0));
          molsingle.addAtom(a7s);
          IAtom a4s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a4s.setPoint2d(new Point2d(422.0, 932.0));
          molsingle.addAtom(a4s);
          IAtom a8s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a8s.setPoint2d(new Point2d(524.0, 863.0));
          molsingle.addAtom(a8s);
          IAtom a9s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a9s.setPoint2d(new Point2d(492.8230854637602, 917.0));
          molsingle.addAtom(a9s);
          IAtom a10s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a10s.setPoint2d(new Point2d(555.1769145362398, 881.0));
          molsingle.addAtom(a10s);
          IAtom a11s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a11s.setPoint2d(new Point2d(524.0, 935.0));
          molsingle.addAtom(a11s);
          IAtom a12s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a12s.setPoint2d(new Point2d(555.1769145362398, 917.0));
          molsingle.addAtom(a12s);
          IAtom a13s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a13s.setPoint2d(new Point2d(592.8230854637602, 889.0));
          molsingle.addAtom(a13s);
          IAtom a14s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a14s.setPoint2d(new Point2d(624.0, 871.0));
          molsingle.addAtom(a14s);
          IAtom a16s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a16s.setPoint2d(new Point2d(592.8230854637602, 925.0));
          molsingle.addAtom(a16s);
          IAtom a17s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a17s.setPoint2d(new Point2d(655.1769145362398, 889.0));
          molsingle.addAtom(a17s);
          IAtom a18s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a18s.setPoint2d(new Point2d(624.0, 943.0));
          molsingle.addAtom(a18s);
          IAtom a19s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a19s.setPoint2d(new Point2d(655.1769145362398, 925.0));
          molsingle.addAtom(a19s);
          IAtom a20s = molsingle.getBuilder().newInstance(IAtom.class, "C");
          a20s.setPoint2d(new Point2d(686.3538290724796, 871.0));
          molsingle.addAtom(a20s);
          IBond b1s = molsingle.getBuilder().newInstance(IBond.class, a1s, a2s, IBond.Order.SINGLE);
          molsingle.addBond(b1s);
          IBond b6s = molsingle.getBuilder().newInstance(IBond.class, a6s, a1s, IBond.Order.SINGLE);
          molsingle.addBond(b6s);
          IBond b2s = molsingle.getBuilder().newInstance(IBond.class, a2s, a3s, IBond.Order.SINGLE);
          molsingle.addBond(b2s);
          IBond b17s = molsingle.getBuilder().newInstance(IBond.class, a2s, a15s, IBond.Order.SINGLE);
          molsingle.addBond(b17s);
          IBond b5s = molsingle.getBuilder().newInstance(IBond.class, a5s, a6s, IBond.Order.SINGLE);
          molsingle.addBond(b5s);
          IBond b7s = molsingle.getBuilder().newInstance(IBond.class, a6s, a7s, IBond.Order.SINGLE);
          molsingle.addBond(b7s);
          IBond b3s = molsingle.getBuilder().newInstance(IBond.class, a3s, a4s, IBond.Order.SINGLE);
          molsingle.addBond(b3s);
          IBond b4s = molsingle.getBuilder().newInstance(IBond.class, a4s, a5s, IBond.Order.SINGLE);
          molsingle.addBond(b4s);
          IBond b8s = molsingle.getBuilder().newInstance(IBond.class, a8s, a7s, IBond.Order.SINGLE);
          molsingle.addBond(b8s);
          IBond b9s = molsingle.getBuilder().newInstance(IBond.class, a7s, a9s, IBond.Order.SINGLE);
          molsingle.addBond(b9s);
          IBond b10s = molsingle.getBuilder().newInstance(IBond.class, a10s, a8s, IBond.Order.SINGLE);
          molsingle.addBond(b10s);
          IBond b11s = molsingle.getBuilder().newInstance(IBond.class, a9s, a11s, IBond.Order.SINGLE);
          molsingle.addBond(b11s);
          IBond b12s = molsingle.getBuilder().newInstance(IBond.class, a12s, a10s, IBond.Order.SINGLE);
          molsingle.addBond(b12s);
          IBond b13s = molsingle.getBuilder().newInstance(IBond.class, a10s, a13s, IBond.Order.SINGLE);
          molsingle.addBond(b13s);
          IBond b14s = molsingle.getBuilder().newInstance(IBond.class, a11s, a12s, IBond.Order.SINGLE);
          molsingle.addBond(b14s);
          IBond b15s = molsingle.getBuilder().newInstance(IBond.class, a14s, a13s, IBond.Order.SINGLE);
          molsingle.addBond(b15s);
          IBond b16s = molsingle.getBuilder().newInstance(IBond.class, a13s, a16s, IBond.Order.SINGLE);
          molsingle.addBond(b16s);
          IBond b18s = molsingle.getBuilder().newInstance(IBond.class, a17s, a14s, IBond.Order.SINGLE);
          molsingle.addBond(b18s);
          IBond b19s = molsingle.getBuilder().newInstance(IBond.class, a16s, a18s, IBond.Order.SINGLE);
          molsingle.addBond(b19s);
          IBond b20s = molsingle.getBuilder().newInstance(IBond.class, a19s, a17s, IBond.Order.SINGLE);
          molsingle.addBond(b20s);
          IBond b21s = molsingle.getBuilder().newInstance(IBond.class, a18s, a19s, IBond.Order.SINGLE);
          molsingle.addBond(b21s);
          IBond b22s = molsingle.getBuilder().newInstance(IBond.class, a17s, a20s, IBond.Order.SINGLE);
          molsingle.addBond(b22s);
  
          IFingerprinter fingerprinter = new ExtendedFingerprinter();
          BitSet bs1 = fingerprinter.getBitFingerprint(molsingle).asBitSet();
          BitSet bs2 = fingerprinter.getBitFingerprint(molcondensed).asBitSet();
  
          Assert.assertFalse(FingerprinterTool.isSubset(bs1, bs2));
          Assert.assertTrue(FingerprinterTool.isSubset(bs2, bs1));
  
      }
test_case.class_method_signature: ExtendedFingerprinterTest.testCondensedSingle()
test_case.full_signature: @Test public void testCondensedSingle()
test_case.identifier: testCondensedSingle
test_case.invocations: newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder setPoint2d addAtom newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond newInstance getBuilder addBond asBitSet getBitFingerprint asBitSet getBitFingerprint assertFalse isSubset assertTrue isSubset
test_case.modifiers: @Test public
test_case.parameters: ()
test_case.return: void
test_case.signature: void testCondensedSingle()
focal_class.declarator: RESERVED_BITS = 25
focal_class.modifier: private final
focal_class.original_string: private final int     RESERVED_BITS = 25;
focal_class.type: int
focal_class.var_name: RESERVED_BITS
focal_class.declarator: fingerprinter = null
focal_class.modifier: private
focal_class.original_string: private Fingerprinter fingerprinter = null;
focal_class.type: Fingerprinter
focal_class.var_name: fingerprinter
focal_class.file: descriptor/fingerprint/src/main/java/org/openscience/cdk/fingerprint/ExtendedFingerprinter.java
focal_class.identifier: ExtendedFingerprinter
focal_class.interfaces: implements IFingerprinter
focal_class.class_method_signature: ExtendedFingerprinter.ExtendedFingerprinter()
focal_class.full_signature: public  ExtendedFingerprinter()
focal_class.identifier: ExtendedFingerprinter
focal_class.modifiers: public
focal_class.parameters: ()
focal_class.signature:  ExtendedFingerprinter()
focal_class.class_method_signature: ExtendedFingerprinter.ExtendedFingerprinter(int size)
focal_class.full_signature: public  ExtendedFingerprinter(int size)
focal_class.identifier: ExtendedFingerprinter
focal_class.modifiers: public
focal_class.parameters: (int size)
focal_class.signature:  ExtendedFingerprinter(int size)
focal_class.class_method_signature: ExtendedFingerprinter.ExtendedFingerprinter(int size, int searchDepth)
focal_class.full_signature: public  ExtendedFingerprinter(int size, int searchDepth)
focal_class.identifier: ExtendedFingerprinter
focal_class.modifiers: public
focal_class.parameters: (int size, int searchDepth)
focal_class.signature:  ExtendedFingerprinter(int size, int searchDepth)
focal_class.class_method_signature: ExtendedFingerprinter.getBitFingerprint(IAtomContainer container)
focal_class.full_signature: @Override public IBitFingerprint getBitFingerprint(IAtomContainer container)
focal_class.identifier: getBitFingerprint
focal_class.modifiers: @Override public
focal_class.parameters: (IAtomContainer container)
focal_class.return: IBitFingerprint
focal_class.signature: IBitFingerprint getBitFingerprint(IAtomContainer container)
focal_class.class_method_signature: ExtendedFingerprinter.getRawFingerprint(IAtomContainer iAtomContainer)
focal_class.full_signature: @Override public Map<String, Integer> getRawFingerprint(IAtomContainer iAtomContainer)
focal_class.identifier: getRawFingerprint
focal_class.modifiers: @Override public
focal_class.parameters: (IAtomContainer iAtomContainer)
focal_class.return: Map<String, Integer>
focal_class.signature: Map<String, Integer> getRawFingerprint(IAtomContainer iAtomContainer)
focal_class.class_method_signature: ExtendedFingerprinter.getBitFingerprint(IAtomContainer atomContainer, IRingSet ringSet, List<IRingSet> rslist)
focal_class.full_signature: public IBitFingerprint getBitFingerprint(IAtomContainer atomContainer, IRingSet ringSet, List<IRingSet> rslist)
focal_class.identifier: getBitFingerprint
focal_class.modifiers: public
focal_class.parameters: (IAtomContainer atomContainer, IRingSet ringSet, List<IRingSet> rslist)
focal_class.return: IBitFingerprint
focal_class.signature: IBitFingerprint getBitFingerprint(IAtomContainer atomContainer, IRingSet ringSet, List<IRingSet> rslist)
focal_class.class_method_signature: ExtendedFingerprinter.getSize()
focal_class.full_signature: @Override public int getSize()
focal_class.identifier: getSize
focal_class.modifiers: @Override public
focal_class.parameters: ()
focal_class.return: int
focal_class.signature: int getSize()
focal_class.class_method_signature: ExtendedFingerprinter.getCountFingerprint(IAtomContainer container)
focal_class.full_signature: @Override public ICountFingerprint getCountFingerprint(IAtomContainer container)
focal_class.identifier: getCountFingerprint
focal_class.modifiers: @Override public
focal_class.parameters: (IAtomContainer container)
focal_class.return: ICountFingerprint
focal_class.signature: ICountFingerprint getCountFingerprint(IAtomContainer container)
focal_class.superclass: extends Fingerprinter
focal_method.body: @Override
      public IBitFingerprint getBitFingerprint(IAtomContainer container) throws CDKException {
          return this.getBitFingerprint(container, null, null);
      }
focal_method.class_method_signature: ExtendedFingerprinter.getBitFingerprint(IAtomContainer container)
focal_method.full_signature: @Override public IBitFingerprint getBitFingerprint(IAtomContainer container)
focal_method.identifier: getBitFingerprint
focal_method.invocations: getBitFingerprint
focal_method.modifiers: @Override public
focal_method.parameters: (IAtomContainer container)
focal_method.return: IBitFingerprint
focal_method.signature: IBitFingerprint getBitFingerprint(IAtomContainer container)