Uses of Class
org.openscience.cdk.aromaticity.ElectronDonation

Packages that use ElectronDonation

Package	Description
org.openscience.cdk.aromaticity

Uses of ElectronDonation in org.openscience.cdk.aromaticity

Fields in org.openscience.cdk.aromaticity declared as ElectronDonation

Modifier and Type	Field	Description
static ElectronDonation	Aromaticity.Model.CDK_1x	Somewhere in between Mdl/Daylight, allows indole/pyrrole/furan but does not allow exo-cyclic bonds.
static ElectronDonation	Aromaticity.Model.CDK_2x	Similar to the Daylight model but also allows boron, tellurium and some arsenic variants as well not allowing sulfinyl/seleninyl since these are Sp3.
static ElectronDonation	Aromaticity.Model.CDK_AtomTypes	The old aromatic bond based on CDK atom types, this model requires atom types have been assigned before calling.
static ElectronDonation	Aromaticity.Model.Daylight	A model similar to what Daylight used for SMILES/SMARTS.
static ElectronDonation	Aromaticity.Model.Mdl	A model similar to what MDL/Symyx used.
static ElectronDonation	Aromaticity.Model.OpenSmiles	Similar to the Daylight model but also allows boron and some arsenic variants as well as charge separated sulfinyl/seleninyl.
static ElectronDonation	Aromaticity.Model.PiBonds	Any atom connected to a single pi bond in a ring contributes 1 electron.

Methods in org.openscience.cdk.aromaticity that return ElectronDonation

Modifier and Type	Method	Description
static ElectronDonation	ElectronDonation.cdk()	Deprecated. Use the newer Aromaticity.Model.CDK_1x or Aromaticity.Model.CDK_2x
static ElectronDonation	ElectronDonation.cdkAllowingExocyclic()	Deprecated. Use the newer Aromaticity.Model.CDK_1x or Aromaticity.Model.CDK_2x
static ElectronDonation	ElectronDonation.daylight()	Deprecated. Use Aromaticity.Model.Daylight
static ElectronDonation	ElectronDonation.piBonds()	Deprecated. Use the newer Aromaticity.Model.PiBonds

Methods in org.openscience.cdk.aromaticity with parameters of type ElectronDonation

Modifier and Type	Method	Description
static boolean	Aromaticity.apply(ElectronDonation model, IAtomContainer molecule)	Apply an aromaticity model to all cycles/rings in a molecule up to the specified maxRingSize.
static boolean	Aromaticity.apply(ElectronDonation model, IAtomContainer molecule, int maxRingSize)	Apply an aromaticity model to all cycles/rings in a molecule up to the specified maxRingSize.

Constructors in org.openscience.cdk.aromaticity with parameters of type ElectronDonation

Constructor	Description
Aromaticity(ElectronDonation model, CycleFinder cycles)	Create an aromaticity model using the specified electron donation model which is tested on the cycles.