Package | Description |
---|---|
org.openscience.cdk | |
org.openscience.cdk.debug | |
org.openscience.cdk.interfaces | |
org.openscience.cdk.nonotify | |
org.openscience.cdk.silent | |
org.openscience.cdk.tools.manipulator |
Modifier and Type | Class and Description |
---|---|
class |
AtomParity
Represents the concept of an atom parity identifying the stereochemistry
around an atom, given four neighbouring atoms.
|
Modifier and Type | Method and Description |
---|---|
IAtomParity |
AtomParity.map(Map<IAtom,IAtom> atoms,
Map<IBond,IBond> bonds) |
Modifier and Type | Class and Description |
---|---|
class |
DebugAtomParity
Debugging data class.
|
Modifier and Type | Method and Description |
---|---|
IAtomParity |
DebugAtomParity.map(Map<IAtom,IAtom> atoms,
Map<IBond,IBond> bonds) |
Modifier and Type | Method and Description |
---|---|
IAtomParity |
IAtomParity.map(Map<IAtom,IAtom> atoms,
Map<IBond,IBond> bonds) |
Modifier and Type | Class and Description |
---|---|
class |
NNAtomParity
Deprecated.
Use the
AtomParity instead. |
Modifier and Type | Method and Description |
---|---|
IAtomParity |
NNAtomParity.map(Map<IAtom,IAtom> atoms,
Map<IBond,IBond> bonds)
Deprecated.
|
Modifier and Type | Method and Description |
---|---|
IAtomParity |
AtomParity.map(Map<IAtom,IAtom> atoms,
Map<IBond,IBond> bonds) |
Modifier and Type | Method and Description |
---|---|
static IAtomParity |
AtomContainerManipulator.getAtomParity(IAtomContainer container,
IAtom atom)
Helper methods that works through the stereo elements of the given atom container
and returns if the atom parity for the given atom, if one is defined.
|