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MehmetAzizYirikMehmetAzizYirik
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MORGEN Test class with randomly selected 40 molecular formulas.
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‎src/test/java/AlgorithmicGroupTheory/testMORGEN.java‎

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package AlgorithmicGroupTheory;
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import static org.junit.Assert.*;
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import java.io.IOException;
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import org.junit.Test;
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import org.openscience.cdk.exception.CDKException;
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public class testMORGEN {
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/**
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* This is the junit test class for MORGEN. Randomly selected 40 molecular
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* formulas are used. The number of generated structures are checked. The
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* number of isomers are also tested with MOLGEN algorithm. MORGEN generates
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* same number of isomers like MOLGEN.
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*/
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@Test
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public void test_C3Cl2H4() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C3Cl2H4";
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MORGEN.run();
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assertEquals(7,MORGEN.count);
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}
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@Test
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public void test_C2NO2H5() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C2NO2H5";
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MORGEN.run();
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assertEquals(84,MORGEN.count);
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}
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@Test
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public void test_C6H6() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C6H6";
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MORGEN.run();
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assertEquals(217,MORGEN.count);
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}
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@Test
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public void test_C3O3H4() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C3O3H4";
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MORGEN.run();
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assertEquals(152,MORGEN.count);
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}
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@Test
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public void test_Cl2C5H4() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="Cl2C5H4";
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MORGEN.run();
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assertEquals(217,MORGEN.count);
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}
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@Test
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public void test_C5H9ClO() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C5H9ClO";
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MORGEN.run();
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assertEquals(334,MORGEN.count);
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}
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@Test
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public void test_C6OF2H12() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C6OF2H12";
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MORGEN.run();
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assertEquals(536,MORGEN.count);
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}
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@Test
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public void test_C7H10() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C7H10";
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MORGEN.run();
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assertEquals(575,MORGEN.count);
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}
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@Test
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public void test_C6O2H12() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C6O2H12";
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MORGEN.run();
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assertEquals(1313,MORGEN.count);
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}
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@Test
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public void test_F2P3BrNO2H() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="F2P3BrNO2H";
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MORGEN.run();
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assertEquals(1958,MORGEN.count);
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}
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@Test
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public void test_C6OH6() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C6OH6";
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MORGEN.run();
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assertEquals(2237,MORGEN.count);
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}
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@Test
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public void test_C5H6BrN() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C5H6BrN";
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MORGEN.run();
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assertEquals(2325,MORGEN.count);
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}
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@Test
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public void test_C6H7F2I() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C6H7F2I";
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MORGEN.run();
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assertEquals(3523,MORGEN.count);
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}
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@Test
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public void test_C5F2O2H2() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C5F2O2H2";
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MORGEN.run();
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assertEquals(7094,MORGEN.count);
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}
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@Test
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public void test_C7OH10() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C7OH10";
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MORGEN.run();
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assertEquals(7166,MORGEN.count);
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}
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@Test
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public void test_C4ClHF2O3() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C4ClHF2O3";
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MORGEN.run();
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assertEquals(7346,MORGEN.count);
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}
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@Test
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public void test_C4O5H6() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C4O5H6";
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MORGEN.run();
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assertEquals(8070,MORGEN.count);
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}
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@Test
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public void test_C5ClHF2O2() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C5ClHF2O2";
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MORGEN.run();
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assertEquals(12400,MORGEN.count);
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}
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@Test
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public void test_C5H10BrF2OP() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C5H10BrF2OP";
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MORGEN.run();
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assertEquals(15009,MORGEN.count);
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}
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@Test
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public void test_C9H12() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C9H12";
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MORGEN.run();
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assertEquals(19983,MORGEN.count);
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}
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@Test
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public void test_C6H10O2Br2() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C6H10O2Br2";
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MORGEN.run();
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assertEquals(24201,MORGEN.count);
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}
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@Test
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public void test_C10H16() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C10H16";
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MORGEN.run();
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assertEquals(24938,MORGEN.count);
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}
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@Test
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public void test_C6H6ClOI() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C6H6ClOI";
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MORGEN.run();
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assertEquals(30728,MORGEN.count);
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}
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@Test
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public void test_C4H5O2Br2N() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C4H5O2Br2N";
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MORGEN.run();
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assertEquals(41067,MORGEN.count);
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}
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@Test
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public void test_C4H10NOSP() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C4H10NOSP";
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MORGEN.run();
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assertEquals(52151,MORGEN.count);
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}
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@Test
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public void test_C7O2H10() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C7O2H10";
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MORGEN.run();
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assertEquals(54641,MORGEN.count);
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}
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@Test
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public void test_P3O3NCl2() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="P3O3NCl2";
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MORGEN.run();
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assertEquals(665,MORGEN.count);
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}
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@Test
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public void test_C5H5SI5() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C5H5SI5";
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MORGEN.run();
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assertEquals(2619,MORGEN.count);
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}
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@Test
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public void test_C3O3NH5() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C3O3NH5";
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MORGEN.run();
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assertEquals(2644,MORGEN.count);
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}
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@Test
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public void test_C5H9ClOS() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C5H9ClOS";
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MORGEN.run();
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assertEquals(3763,MORGEN.count);
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}
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@Test
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public void test_C3NO2SH7() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C3NO2SH7";
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MORGEN.run();
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assertEquals(3838,MORGEN.count);
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}
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@Test
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public void test_C4H8Cl3O2P() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C4H8Cl3O2P";
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MORGEN.run();
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assertEquals(9313,MORGEN.count);
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}
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@Test
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public void test_C5H2F2SO() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C5H2F2SO";
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MORGEN.run();
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assertEquals(13446,MORGEN.count);
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}
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@Test
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public void test_C7H11ClS() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C7H11ClS";
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MORGEN.run();
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assertEquals(15093,MORGEN.count);
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}
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@Test
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public void test_C4NO3H7() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C4NO3H7";
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MORGEN.run();
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assertEquals(18469,MORGEN.count);
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}
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@Test
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public void test_C4H5O2F2P() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C4H5O2F2P";
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MORGEN.run();
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assertEquals(41067,MORGEN.count);
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}
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@Test
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public void test_C3N3O2H7() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C3N3O2H7";
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MORGEN.run();
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assertEquals(45626,MORGEN.count);
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}
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@Test
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public void test_C5N3H9() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C5N3H9";
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MORGEN.run();
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assertEquals(46125,MORGEN.count);
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}
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@Test
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public void test_C3O6PH5() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C3O6PH5";
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MORGEN.run();
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assertEquals(51323,MORGEN.count);
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}
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@Test
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public void test_C5H5POBr2() throws IOException, CDKException, CloneNotSupportedException {
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MORGEN.formula="C5H5POBr2";
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MORGEN.run();
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assertEquals(62886,MORGEN.count);
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}
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}

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