Class | Description |
---|---|
BEMatrix |
This class create the BEMatrix of a set of molecule according to the
DU-Theory.
|
BondChangeAnnotator | |
BondChangeCalculator |
This class marks the bond changes
|
GlobalEntropyCalculator |
This class maintains the references of a set of RMatrices.
|
MappingSolution | |
ReactionMechanismTool | |
RMatrix |
This class create the RMatrix of a reaction according to the DU-Theory.
|
StereoChange | |
StereogenicCenterCalculator |
This class creates a Stereo matrix for a set of molecules loosely based on a
series of paper by Ugi.
|