@TestClass(value="org.openscience.cdk.graph.invariant.MorganNumbersToolsTest") public class MorganNumbersTools extends Object
Constructor and Description |
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MorganNumbersTools() |
Modifier and Type | Method and Description |
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static long[] |
getMorganNumbers(IAtomContainer atomContainer)
Makes an array containing the morgan numbers of the atoms of atomContainer.
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static String[] |
getMorganNumbersWithElementSymbol(IAtomContainer atomContainer)
Makes an array containing the morgan numbers+element symbol of the atoms of atomContainer.
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@TestMethod(value="testGetMorganNumbers_IAtomContainer") public static long[] getMorganNumbers(IAtomContainer atomContainer)
atomContainer
- The atomContainer to analyse.@TestMethod(value="testPhenylamine") public static String[] getMorganNumbersWithElementSymbol(IAtomContainer atomContainer)
atomContainer
- The atomContainer to analyse.