Uses of Class
org.openscience.cdk.group.Partition
Packages that use Partition
-
Uses of Partition in org.openscience.cdk.group
Methods in org.openscience.cdk.group that return PartitionModifier and TypeMethodDescriptionstatic 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.AtomContainerDiscretePartitionRefiner.getAutomorphismPartition
(IAtomContainer atomContainer) Get the automorphism partition (equivalence classes) of the atoms.DiscretePartitionRefiner.getAutomorphismPartition()
The automorphism partition is a partition of the elements of the group.Refinable.getInitialPartition()
Get an initial partition of the vertices of the refinable - for example, by color.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.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.Methods in org.openscience.cdk.group with parameters of type PartitionModifier and TypeMethodDescriptionAtomContainerDiscretePartitionRefiner.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.Constructors in org.openscience.cdk.group with parameters of type Partition