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Need to use a comple complex graph now we find all these cycles.
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tool/forcefield/src/test/java/org/openscience/cdk/forcefield/mmff/MmffAromaticTypeMappingTest.java

Lines changed: 7 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -286,20 +286,20 @@ public void elementContributingOneElectronRejectWhenNoDoubleBond() throws Except
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public void intractableNumberOfCycles() throws Exception {
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// to ensure intractable cycles are handled we create a complete graph
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// where every vertex is attached to every other vertex. K8 is sufficient
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// to trigger an abort when finding cycles
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// where every vertex is attached to every other vertex. K9 is sufficient
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// to trigger an abort when finding cycles for setting PubChem_994
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IAtomContainer container = Mockito.mock(IAtomContainer.class);
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int[][] graphK8 = new int[8][7];
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int[][] graphK9 = new int[9][8];
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for (int i = 0; i < graphK8.length; i++) {
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for (int i = 0; i < graphK9.length; i++) {
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int n = 0;
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for (int j = 0; j < graphK8.length; j++) {
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for (int j = 0; j < graphK9.length; j++) {
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if (i == j) continue;
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graphK8[i][n++] = j;
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graphK9[i][n++] = j;
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}
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}
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assertThat(MmffAromaticTypeMapping.cyclesOfSizeFiveOrSix(container, graphK8).length, is(0));
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assertThat(MmffAromaticTypeMapping.cyclesOfSizeFiveOrSix(container, graphK9).length, is(0));
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}
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@Test

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