Package | Description |
---|---|
org.openscience.cdk.graph | |
org.openscience.cdk.stereo |
Modifier and Type | Method and Description |
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static GraphUtil.EdgeToBondMap |
GraphUtil.EdgeToBondMap.withSpaceFor(IAtomContainer container)
Create a map with enough space for all the bonds in the molecule,
container . |
Modifier and Type | Method and Description |
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static int |
Cycles.markRingAtomsAndBonds(IAtomContainer mol,
int[][] adjList,
GraphUtil.EdgeToBondMap bondMap)
Find and mark all cyclic atoms and bonds in the provided molecule.
|
static int[][] |
GraphUtil.toAdjList(IAtomContainer container,
GraphUtil.EdgeToBondMap bondMap)
Create an adjacent list representation of the
container and
fill in the bondMap for quick lookup. |
Modifier and Type | Field and Description |
---|---|
protected GraphUtil.EdgeToBondMap |
StereoElementFactory.bondMap
A bond map for fast access to bond labels between two atom indices.
|
Constructor and Description |
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StereoElementFactory(IAtomContainer container,
int[][] graph,
GraphUtil.EdgeToBondMap bondMap)
Internal constructor.
|
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