uk.ac.cam.ch.wwmm.opsin
public class SMILESWriterTest extends java.lang.Object
Constructor and Description |
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SMILESWriterTest() |
public void setup()
public void testRoundTrip1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRoundTrip2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRoundTrip3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRoundTrip4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRoundTrip5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRoundTrip6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRoundTrip7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRoundTrip8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRoundTrip9() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRoundTrip10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRoundTrip11() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRoundTrip12() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testOrganic1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testOrganic2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testOrganic3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testOrganic4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testOrganic5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testOrganic6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testOrganic7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testOrganic8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testOrganic9() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testOrganic10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCharged1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCharged2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCharged3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testCharged4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testIsotope() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRGroup1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRGroup2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testRingOpeningsGreaterThan10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testHydrogenNotBondedToAnyNonHydrogen1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testHydrogenNotBondedToAnyNonHydrogen2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testHydrogenNotBondedToAnyNonHydrogen3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testHydrogenNotBondedToAnyNonHydrogen4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testTetrahedralChirality1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testTetrahedralChirality2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testTetrahedralChirality3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testTetrahedralChirality4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testTetrahedralChirality5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testTetrahedralChirality6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testTetrahedralChirality7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondSupport1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondSupport2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondSupport3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondSupport4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondSupport5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondSupport6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondSupport7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
public void testDoubleBondSupport8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException