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Junit5 parameterized tests - all uses of org.junit.Test updated.
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@johnmay @egonw
johnmay authored and egonw committed Sep 11, 2022
1 parent ec67034 commit c74eb74
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5 changes: 5 additions & 0 deletions pom.xml
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Expand Up @@ -472,6 +472,11 @@
<artifactId>junit-jupiter-api</artifactId>
<version>5.9.0</version>
</dependency>
<dependency>
<groupId>org.junit.jupiter</groupId>
<artifactId>junit-jupiter-params</artifactId>
<version>5.9.0</version>
</dependency>
<dependency>
<groupId>org.junit.vintage</groupId>
<artifactId>junit-vintage-engine</artifactId>
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5 changes: 5 additions & 0 deletions tool/structgen/pom.xml
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Expand Up @@ -44,6 +44,11 @@
<artifactId>cdk-group</artifactId>
<version>${project.parent.version}</version>
</dependency>
<dependency>
<groupId>org.junit.jupiter</groupId>
<artifactId>junit-jupiter-params</artifactId>
<scope>test</scope>
</dependency>
<dependency>
<groupId>org.junit.jupiter</groupId>
<artifactId>junit-jupiter-api</artifactId>
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144 changes: 67 additions & 77 deletions ...structgen/src/test/java/org/openscience/cdk/structgen/maygen/MaygenExpectedCountTest.java
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Expand Up @@ -19,97 +19,86 @@
package org.openscience.cdk.structgen.maygen;


import org.junit.Test;
import org.junit.experimental.categories.Category;
import org.junit.jupiter.api.Assertions;
import org.junit.runner.RunWith;
import org.junit.runners.Parameterized;
import org.junit.jupiter.params.ParameterizedTest;
import org.junit.jupiter.params.provider.Arguments;
import org.junit.jupiter.params.provider.MethodSource;
import org.openscience.cdk.exception.CDKException;
import org.openscience.cdk.silent.SilentChemObjectBuilder;
import org.openscience.cdk.test.SlowTest;

import java.io.IOException;
import java.util.Arrays;
import java.util.Collection;
import java.util.stream.Stream;

/**
* This parameterized test-suite runs the checks of how many isomers we exepect
* for each formula.
*/
@RunWith(Parameterized.class)
public class MaygenExpectedCountTest {

@Parameterized.Parameters(name = "{0}")
public static Collection<Object[]> data() {
return Arrays.asList(new Object[][]{
{"C3Cl2H4", 7},
{"CClH10", 0},
{"H3", 0},
{"N2", 1},
{"C4Cl2", 7},
{"H2", 1},
{"O13S7", 1980},
{"S27", 1},
{"O10S10", 4752},
{"O18", 1},
{"C2NO2H5", 84},
{"H2O", 1},
{"NH3", 1},
{"C6H6", 217},
{"C3O3H4", 152},
{"Cl2C5H4", 217},
{"C5H9ClO", 334},
{"C6OF2H12", 536},
{"C7H10", 575},
{"C6O2H12", 1313},
{"F2P3BrNO2H", 1958},
{"C6OH6", 2237},
{"C5H6BrN", 2325},
{"C6H7F2I", 3523},
{"C5F2O2H2", 7094},
{"C7OH10", 7166},
{"C4ClHF2O3", 7346},
{"C4O5H6", 8070},
{"C5ClHF2O2", 12400},
{"C5H10BrF2OP", 15009},
{"C9H12", 19983},
{"C10H16", 24938},
{"C6H10O2Br2", 24201},
{"C6H6ClOI", 30728},
{"C4H5O2Br2N", 41067},
{"C4H10NOSP", 52151},
{"C7O2H10", 54641},
{"P3O3NCl2", 665},
{"C5H5SI5", 2619},
{"C3O3NH5", 2644},
{"C5H9ClOS", 3763},
{"C3NO2SH7", 3838},
{"C4H8Cl3O2P", 9313},
{"C5H2F2SO", 13446},
{"C7H11ClS", 15093},
{"C4NO3H7", 18469},
{"C4H5O2F2P", 41067},
{"C3N3O2H7", 45626},
{"C5N3H9", 46125},
{"C3O6PH5", 51323},
{"C5H5POBr2", 62886},
{"C[1-2]H[3-8]", 3},
{"C[1-6]Cl2H[4-8]", 4141},
{"C(val=4)6H(val=1)6", 217} // user defined
});
public static Stream<Arguments> data() {
return Stream.of(
Arguments.arguments("C3Cl2H4", 7),
Arguments.arguments("CClH10", 0),
Arguments.arguments("H3", 0),
Arguments.arguments("N2", 1),
Arguments.arguments("C4Cl2", 7),
Arguments.arguments("H2", 1),
Arguments.arguments("O13S7", 1980),
Arguments.arguments("S27", 1),
Arguments.arguments("O10S10", 4752),
Arguments.arguments("O18", 1),
Arguments.arguments("C2NO2H5", 84),
Arguments.arguments("H2O", 1),
Arguments.arguments("NH3", 1),
Arguments.arguments("C6H6", 217),
Arguments.arguments("C3O3H4", 152),
Arguments.arguments("Cl2C5H4", 217),
Arguments.arguments("C5H9ClO", 334),
Arguments.arguments("C6OF2H12", 536),
Arguments.arguments("C7H10", 575),
Arguments.arguments("C6O2H12", 1313),
Arguments.arguments("F2P3BrNO2H", 1958),
Arguments.arguments("C6OH6", 2237),
Arguments.arguments("C5H6BrN", 2325),
Arguments.arguments("C6H7F2I", 3523),
Arguments.arguments("C5F2O2H2", 7094),
Arguments.arguments("C7OH10", 7166),
Arguments.arguments("C4ClHF2O3", 7346),
Arguments.arguments("C4O5H6", 8070),
Arguments.arguments("C5ClHF2O2", 12400),
Arguments.arguments("C5H10BrF2OP", 15009),
Arguments.arguments("C9H12", 19983),
Arguments.arguments("C10H16", 24938),
Arguments.arguments("C6H10O2Br2", 24201),
Arguments.arguments("C6H6ClOI", 30728),
Arguments.arguments("C4H5O2Br2N", 41067),
Arguments.arguments("C4H10NOSP", 52151),
Arguments.arguments("C7O2H10", 54641),
Arguments.arguments("P3O3NCl2", 665),
Arguments.arguments("C5H5SI5", 2619),
Arguments.arguments("C3O3NH5", 2644),
Arguments.arguments("C5H9ClOS", 3763),
Arguments.arguments("C3NO2SH7", 3838),
Arguments.arguments("C4H8Cl3O2P", 9313),
Arguments.arguments("C5H2F2SO", 13446),
Arguments.arguments("C7H11ClS", 15093),
Arguments.arguments("C4NO3H7", 18469),
Arguments.arguments("C4H5O2F2P", 41067),
Arguments.arguments("C3N3O2H7", 45626),
Arguments.arguments("C5N3H9", 46125),
Arguments.arguments("C3O6PH5", 51323),
Arguments.arguments("C5H5POBr2", 62886),
Arguments.arguments("C[1-2]H[3-8]", 3),
Arguments.arguments("C[1-6]Cl2H[4-8]", 4141),
Arguments.arguments("C(val=4)6H(val=1)6", 217) // user defined
);
}


private final String formula;
private final int expectedCount;

public MaygenExpectedCountTest(String formula, int count) {
this.formula = formula;
this.expectedCount = count;
}

@Test
public void testExpectedCountMultithreaded() throws CDKException, IOException, CloneNotSupportedException {
@ParameterizedTest
@MethodSource("data")
public void testExpectedCountMultithreaded(String formula, int expectedCount) throws CDKException, IOException, CloneNotSupportedException {
Maygen maygen = new Maygen(SilentChemObjectBuilder.getInstance());
if (formula.contains("val="))
maygen.setSetElement(true);
Expand All @@ -126,9 +115,10 @@ public void testExpectedCountMultithreaded() throws CDKException, IOException, C
Assertions.assertEquals(expectedCount, maygen.getCount());
}

@Test
@ParameterizedTest
@MethodSource("data")
@Category(SlowTest.class)
public void testExpectedCount() throws CDKException, IOException, CloneNotSupportedException {
public void testExpectedCount(String formula, int expectedCount) throws CDKException, IOException, CloneNotSupportedException {
Maygen maygen = new Maygen(SilentChemObjectBuilder.getInstance());
if (formula.contains("val="))
maygen.setSetElement(true);
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