Package | Description |
---|---|
org.openscience.cdk.aromaticity |
Modifier and Type | Method and Description |
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static ElectronDonation |
ElectronDonation.cdk()
Use the preset CDK atom types to determine the electron contribution of
atoms.
|
static ElectronDonation |
ElectronDonation.cdkAllowingExocyclic()
Use the preset CDK atom types to determine the electron contribution of
atoms.
|
static ElectronDonation |
ElectronDonation.daylight()
Electron donation model closely mirroring the Daylight model for use in
generating SMILES.
|
static ElectronDonation |
ElectronDonation.piBonds()
A very simple aromaticity model which only allows atoms adjacent to
cyclic pi bonds.
|
Constructor and Description |
---|
Aromaticity(ElectronDonation model,
CycleFinder cycles)
Create an aromaticity model using the specified electron donation
model which is tested on the cycles . |
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