| Interface | Description |
|---|---|
| Binary | |
| GraphOp |
Interface for a simple operation that takes a Graph and returns a Graph.
|
| Parameters | |
| Unary |
| Class | Description |
|---|---|
| AllIsomorphs |
Returns all graphs that are isomorphs of the original graph(s).
|
| AllIsomorphs.AllIsomorphsParameters | |
| BiComponentSubst |
This class handles the substitution g = A where g is a Graph and A is a set
of Graph.
|
| BiComponentSubst.BiComponentSubstParameters | |
| CombineABSite |
Operation that attempts to change bonds in a graph so that equivalent graphs
in a set can be combined.
|
| CombineABSite.CombineABSiteParameters | |
| ComponentSubst |
This class handles the substitution g = A where g is a Graph and A is a set
of Graph.
|
| ComponentSubst.ComponentSubstParameters | |
| Conv | |
| ConvParameters | |
| Decorate |
Performs decoration of diagrams by points.
|
| Decorate.DecorateParameters | |
| DecorateWertheim2Site |
Performs decoration of diagrams by various density points.
|
| DecorateWertheim2Site.DecorateWertheimParameters2Site | |
| DecorateWertheim2SiteRho |
Performs decoration of diagrams by various density points.
|
| DecorateWertheim2SiteRho.DecorateWertheimParameters2Site | |
| DecorateWertheim3SiteRho |
Performs decoration of diagrams by various density points.
|
| DecorateWertheim3SiteRho.DecorateWertheimParameters3Site | |
| DecorateWertheimNaphthalene2Rho |
modified from Hye Min's DecorateWertheim2SiteRho class
Performs decoration of diagrams by various density points.
|
| DecorateWertheimNaphthalene2Rho.DecorateNaphthalene2Site | |
| Delete | |
| DeleteEdge |
Deletes all edges of a given color.
|
| DeleteEdgeParameters | |
| DifByConstant | |
| DifByConstant.DifByConstantParameters | |
| DifByEdge | |
| DifByNode | |
| DifParameters | |
| DropOrphanNodes | |
| Exclude |
exclude diagrams having multiple association bond
|
| ExcludeParameters | |
| Exp | |
| ExpParameters | |
| Factor |
Factor graphs.
|
| FactorOnce |
Factor graphs once.
|
| FactorOnce.FactorOnceParameters | |
| GraphExtract |
This class takes the given nodes from the given graph and returns a new
graph consisting only of those nodes (and the bonds between them).
|
| GraphOp.GraphOpNull |
A dummy implementation of GraphOp that does nothing.
|
| GraphOpMaxRoot |
GraphOp class that adjusts root points in each component so that
+ the number of root points is maintained
+ no component has more than one root point
+ all root points are included in all the "earliest" components
+ if a component has a root point, it is the first node in that component
This class only makes sense if the specific identity of each root
point is unimportant (Metadata.ROOT_POINTS_SPECIAL=false).
|
| IdenticalFree |
Operation that removes identical graphs
|
| Int | |
| IntParameters | |
| IsoFree | |
| IsoFree.IsoFreeParams | |
| MaxIsomorph |
Returns a set of graphs with each one corresponding to a graph in the
original set.
|
| MaxIsomorph.MaxIsomorphParameters |
Parameters class for MaxIsomorph which defines a graph operation and
property to select for.
|
| MaxIsomorphWertheim |
Returns a set of graphs with each one corresponding to a graph in the
original set.
|
| MaxIsomorphWertheim.MaxIsomorphWertheimParameters | |
| Mul | |
| Mul.MulParameters | |
| MulFlexible |
Perform graph multiplication for flexible molecules.
|
| MulFlexible.MulFlexibleParameters | |
| MulScalar |
Multiply graphs by a scalar (coefficient)
|
| MulScalarParameters | |
| MulUnion |
This operation multiplies two graphs (or each pair of graphs from two sets)
by superimposing all points (with the idea that all nodes are
distinguishable).
|
| NCopy | |
| PCopy | |
| Pow | |
| PowParameters | |
| ReeHoover |
This operation performs conversion from a set of biconnected graphs with f
edges to a set of diagrams of fully connected diagrams with e and f edges.
|
| ReeHoover.ReeHooverParameters | |
| Relabel | |
| RelabelParameters | |
| RelabelWertheim | |
| SetPropertyFilter | |
| Split | |
| SplitGraph |
Split a disconnected graph into multiple graphs.
|
| SplitOne |
Performs the substitution 1=a+b.
|
| SplitOne.SplitOneParameters | |
| SplitOneBiconnected |
Performs the substitution 1=a+b within each biconnected component.
|
| SplitOneBiconnected.SplitOneParametersBC | |
| SplitParameters | |
| Sub | |
| Sum | |
| UnaryChain |
Facilitates a chain of unary operations.
|
| UnaryChain.ChainParameters | |
| Unfactor |
This operation will do the reverse of the Factor operation.
|
| Union |