Package | Description |
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org.openscience.cdk.group |
Modifier and Type | Method and Description |
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static Partition |
Partition.fromString(String strForm)
Parse a string like "[0,2|1,3]" to form the partition; cells are
separated by '|' characters and elements within the cell by commas.
|
Partition |
DiscretePartitionRefiner.getAutomorphismPartition()
The automorphism partition is a partition of the elements of the group.
|
Partition |
AtomContainerDiscretePartitionRefiner.getAutomorphismPartition(IAtomContainer atomContainer)
Get the automorphism partition (equivalence classes) of the atoms.
|
Partition |
Refinable.getInitialPartition()
Get an initial partition of the vertices of the refinable -
for example, by color.
|
Partition |
Partition.splitAfter(int cellIndex,
int splitElement)
Splits this partition by taking the cell at cellIndex and making two
new cells - the first with the the rest of the elements from that cell
and the second with the singleton splitElement.
|
Partition |
Partition.splitBefore(int cellIndex,
int splitElement)
Splits this partition by taking the cell at cellIndex and making two
new cells - the first with the singleton splitElement and the second
with the rest of the elements from that cell.
|
static Partition |
Partition.unit(int size)
Create a unit partition - in other words, the coarsest possible partition
where all the elements are in one cell.
|
Modifier and Type | Method and Description |
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PermutationGroup |
AtomContainerDiscretePartitionRefiner.getAutomorphismGroup(IAtomContainer atomContainer,
Partition initialPartition)
Get the automorphism group of the molecule given an initial partition.
|
void |
AtomContainerDiscretePartitionRefiner.refine(IAtomContainer atomContainer,
Partition partition)
Refine an atom partition based on the connectivity in the atom container.
|
Constructor and Description |
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Partition(Partition other)
Copy constructor to make one partition from another.
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