Package uk.ac.cam.ch.wwmm.opsin
Class SMILESWriterTest
- java.lang.Object
-
- uk.ac.cam.ch.wwmm.opsin.SMILESWriterTest
-
public class SMILESWriterTest extends java.lang.Object
-
-
Constructor Summary
Constructors Constructor Description SMILESWriterTest()
-
Method Summary
-
-
-
Method Detail
-
setup
public void setup()
-
testRoundTrip1
public void testRoundTrip1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRoundTrip2
public void testRoundTrip2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRoundTrip3
public void testRoundTrip3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRoundTrip4
public void testRoundTrip4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRoundTrip5
public void testRoundTrip5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRoundTrip6
public void testRoundTrip6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRoundTrip7
public void testRoundTrip7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRoundTrip8
public void testRoundTrip8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRoundTrip9
public void testRoundTrip9() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRoundTrip10
public void testRoundTrip10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRoundTrip11
public void testRoundTrip11() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRoundTrip12
public void testRoundTrip12() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testOrganic1
public void testOrganic1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testOrganic2
public void testOrganic2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testOrganic3
public void testOrganic3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testOrganic4
public void testOrganic4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testOrganic5
public void testOrganic5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testOrganic6
public void testOrganic6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testOrganic7
public void testOrganic7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testOrganic8
public void testOrganic8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testOrganic9
public void testOrganic9() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testOrganic10
public void testOrganic10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testCharged1
public void testCharged1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testCharged2
public void testCharged2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testCharged3
public void testCharged3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testCharged4
public void testCharged4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testIsotope
public void testIsotope() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRGroup1
public void testRGroup1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRGroup2
public void testRGroup2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testRingOpeningsGreaterThan10
public void testRingOpeningsGreaterThan10() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testHydrogenNotBondedToAnyNonHydrogen1
public void testHydrogenNotBondedToAnyNonHydrogen1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testHydrogenNotBondedToAnyNonHydrogen2
public void testHydrogenNotBondedToAnyNonHydrogen2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testHydrogenNotBondedToAnyNonHydrogen3
public void testHydrogenNotBondedToAnyNonHydrogen3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testHydrogenNotBondedToAnyNonHydrogen4
public void testHydrogenNotBondedToAnyNonHydrogen4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testTetrahedralChirality1
public void testTetrahedralChirality1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testTetrahedralChirality2
public void testTetrahedralChirality2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testTetrahedralChirality3
public void testTetrahedralChirality3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testTetrahedralChirality4
public void testTetrahedralChirality4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testTetrahedralChirality5
public void testTetrahedralChirality5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testTetrahedralChirality6
public void testTetrahedralChirality6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testTetrahedralChirality7
public void testTetrahedralChirality7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testDoubleBondSupport1
public void testDoubleBondSupport1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testDoubleBondSupport2
public void testDoubleBondSupport2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testDoubleBondSupport3
public void testDoubleBondSupport3() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testDoubleBondSupport4
public void testDoubleBondSupport4() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testDoubleBondSupport5
public void testDoubleBondSupport5() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testDoubleBondSupport6
public void testDoubleBondSupport6() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testDoubleBondSupport7
public void testDoubleBondSupport7() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testDoubleBondSupport8
public void testDoubleBondSupport8() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testLabelling1
public void testLabelling1() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
testLabelling2
public void testLabelling2() throws uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
- Throws:
uk.ac.cam.ch.wwmm.opsin.StructureBuildingException
-
-