Package | Description |
---|---|
org.openscience.cdk | |
org.openscience.cdk.debug | |
org.openscience.cdk.interfaces | |
org.openscience.cdk.nonotify | |
org.openscience.cdk.silent |
Modifier and Type | Class and Description |
---|---|
class |
SingleElectron
A Single Electron is an orbital which is occupied by only one electron.
|
Modifier and Type | Method and Description |
---|---|
ISingleElectron |
AtomContainer.getSingleElectron(int number)
Get the single electron at position
number in [0,..]. |
ISingleElectron |
AtomContainer.removeSingleElectron(int position)
Removes the single electron at the given position from the AtomContainer.
|
Modifier and Type | Method and Description |
---|---|
List<ISingleElectron> |
AtomContainer.getConnectedSingleElectronsList(IAtom atom)
Returns an array of all SingleElectron connected to the given atom.
|
Iterable<ISingleElectron> |
AtomContainer.singleElectrons()
Returns an Iterable for looping over all single electrons in this container.
|
Modifier and Type | Method and Description |
---|---|
void |
AtomContainer.addSingleElectron(ISingleElectron singleElectron)
Adds a single electron to this AtomContainer.
|
boolean |
AtomContainer.contains(ISingleElectron singleElectron)
True, if the AtomContainer contains the given SingleElectron object.
|
int |
AtomContainer.getSingleElectronNumber(ISingleElectron singleElectron)
Returns the position of a given single electron in the single electron array.
|
void |
AtomContainer.removeSingleElectron(ISingleElectron singleElectron)
Removes the single electron from the AtomContainer.
|
Modifier and Type | Class and Description |
---|---|
class |
DebugSingleElectron
Debugging data class.
|
Modifier and Type | Method and Description |
---|---|
Iterable<ISingleElectron> |
DebugStrand.singleElectrons() |
Iterable<ISingleElectron> |
DebugRing.singleElectrons() |
Iterable<ISingleElectron> |
DebugPolymer.singleElectrons() |
Iterable<ISingleElectron> |
DebugMonomer.singleElectrons() |
Iterable<ISingleElectron> |
DebugMolecule.singleElectrons() |
Iterable<ISingleElectron> |
DebugCrystal.singleElectrons() |
Iterable<ISingleElectron> |
DebugBioPolymer.singleElectrons() |
Iterable<ISingleElectron> |
DebugAtomContainer.singleElectrons() |
Iterable<ISingleElectron> |
DebugAminoAcid.singleElectrons() |
Modifier and Type | Method and Description |
---|---|
ISingleElectron |
IAtomContainer.getSingleElectron(int number)
Get the single electron at position
number in [0,..]. |
ISingleElectron |
IAtomContainer.removeSingleElectron(int position)
Removes the single electron at the given position from the AtomContainer.
|
Modifier and Type | Method and Description |
---|---|
List<ISingleElectron> |
IAtomContainer.getConnectedSingleElectronsList(IAtom atom)
Returns an array of all SingleElectron connected to the given atom.
|
Iterable<ISingleElectron> |
IAtomContainer.singleElectrons()
Returns an Iterable for looping over all single electrons in this container.
|
Modifier and Type | Method and Description |
---|---|
void |
IAtomContainer.addSingleElectron(ISingleElectron singleElectron)
Adds a single electron to this AtomContainer.
|
boolean |
IAtomContainer.contains(ISingleElectron singleElectron)
True, if the AtomContainer contains the given SingleElectron object.
|
int |
IAtomContainer.getSingleElectronNumber(ISingleElectron singleElectron)
Returns the position of a given single electron in the single electron array.
|
void |
IAtomContainer.removeSingleElectron(ISingleElectron singleElectron)
Removes the single electron from the AtomContainer.
|
Modifier and Type | Class and Description |
---|---|
class |
NNSingleElectron
Deprecated.
Use the
SingleElectron instead. |
Modifier and Type | Method and Description |
---|---|
ISingleElectron |
AtomContainer.getSingleElectron(int number)
Get the single electron at position
number in [0,..]. |
ISingleElectron |
AtomContainer.removeSingleElectron(int position)
Removes the single electron at the given position from the AtomContainer.
|
Modifier and Type | Method and Description |
---|---|
List<ISingleElectron> |
AtomContainer.getConnectedSingleElectronsList(IAtom atom)
Returns an array of all SingleElectron connected to the given atom.
|
Iterable<ISingleElectron> |
AtomContainer.singleElectrons()
Returns an Iterable for looping over all single electrons in this container.
|
Modifier and Type | Method and Description |
---|---|
void |
AtomContainer.addSingleElectron(ISingleElectron singleElectron)
Adds a single electron to this AtomContainer.
|
boolean |
AtomContainer.contains(ISingleElectron singleElectron)
True, if the AtomContainer contains the given SingleElectron object.
|
int |
AtomContainer.getSingleElectronNumber(ISingleElectron singleElectron)
Returns the position of a given single electron in the single electron array.
|
void |
AtomContainer.removeSingleElectron(ISingleElectron singleElectron)
Removes the single electron from the AtomContainer.
|