@TestClass(value="org.openscience.cdk.fragment.FragmentUtilsTest") public class FragmentUtils extends Object
Constructor and Description |
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FragmentUtils() |
Modifier and Type | Method and Description |
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protected static IAtomContainer |
makeAtomContainer(IAtom atom,
List<IBond> parts,
IAtom excludedAtom) |
protected static List<IAtomContainer> |
splitMolecule(IAtomContainer atomContainer,
IBond bond)
Non destructively split a molecule into two parts at the specified bond.
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protected static List<IBond> |
traverse(IAtomContainer atomContainer,
IAtom atom,
List<IBond> bondList) |
@TestMethod(value="testSplit") protected static List<IAtomContainer> splitMolecule(IAtomContainer atomContainer, IBond bond)
atomContainer
- The molecule to splitbond
- The bond to split at@TestMethod(value="testMakeAtomContainer") protected static IAtomContainer makeAtomContainer(IAtom atom, List<IBond> parts, IAtom excludedAtom)
@TestMethod(value="testTraversal_Chain") protected static List<IBond> traverse(IAtomContainer atomContainer, IAtom atom, List<IBond> bondList)
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