StructureResonanceGenerator { public void setDefaultReactions() { callDefaultReactions(); } StructureResonanceGenerator();  StructureResonanceGenerator(boolean lookingSymmetry); void setReactions(List<IReactionProcess> newReactionsList); List<IReactionProcess> getReactions(); void setMaximalStructures(int maxStruct); int getMaximalStructures(); void setDefaultReactions(); IAtomContainerSet getStructures(IAtomContainer molecule); IAtomContainerSet getContainers(IAtomContainer molecule); IAtomContainer getContainer(IAtomContainer molecule, IAtom atom); IAtomContainer getContainer(IAtomContainer molecule, IBond bond);  }
@Test public void testSetDefaultReactions() { StructureResonanceGenerator sRG = new StructureResonanceGenerator(); List<IReactionProcess> reactionList = sRG.getReactions(); Assert.assertNotNull(reactionList); Assert.assertEquals(6, reactionList.size()); SharingLonePairReaction slReaction = (SharingLonePairReaction) reactionList.get(0); Assert.assertEquals(1, slReaction.getParameterList().size()); List<IParameterReact> objects = slReaction.getParameterList(); for (Iterator<IParameterReact> it = objects.iterator(); it.hasNext();) { IParameterReact object = it.next(); if (object instanceof SetReactionCenter) Assert.assertFalse((Boolean) object.isSetParameter()); } PiBondingMovementReaction pBReaction = (PiBondingMovementReaction) reactionList.get(1); Assert.assertEquals(1, pBReaction.getParameterList().size()); objects = pBReaction.getParameterList(); for (Iterator<IParameterReact> it = objects.iterator(); it.hasNext();) { IParameterReact object = it.next(); if (object instanceof SetReactionCenter) Assert.assertFalse((Boolean) object.isSetParameter()); } RearrangementAnionReaction raReaction = (RearrangementAnionReaction) reactionList.get(2); Assert.assertEquals(1, raReaction.getParameterList().size()); objects = raReaction.getParameterList(); for (Iterator<IParameterReact> it = objects.iterator(); it.hasNext();) { IParameterReact object = it.next(); if (object instanceof SetReactionCenter) Assert.assertFalse((Boolean) object.isSetParameter()); } RearrangementCationReaction rcReaction = (RearrangementCationReaction) reactionList.get(3); Assert.assertEquals(1, rcReaction.getParameterList().size()); objects = rcReaction.getParameterList(); for (Iterator<IParameterReact> it = objects.iterator(); it.hasNext();) { IParameterReact object = it.next(); if (object instanceof SetReactionCenter) Assert.assertFalse((Boolean) object.isSetParameter()); } RearrangementLonePairReaction lnReaction = (RearrangementLonePairReaction) reactionList.get(4); Assert.assertEquals(1, lnReaction.getParameterList().size()); objects = lnReaction.getParameterList(); for (Iterator<IParameterReact> it = objects.iterator(); it.hasNext();) { IParameterReact object = it.next(); if (object instanceof SetReactionCenter) Assert.assertFalse((Boolean) object.isSetParameter()); } RearrangementRadicalReaction rrReaction = (RearrangementRadicalReaction) reactionList.get(5); Assert.assertEquals(1, rrReaction.getParameterList().size()); objects = rrReaction.getParameterList(); for (Iterator<IParameterReact> it = objects.iterator(); it.hasNext();) { IParameterReact object = it.next(); if (object instanceof SetReactionCenter) Assert.assertFalse((Boolean) object.isSetParameter()); } }