Package | Description |
---|---|
org.openscience.cdk.geometry.cip | |
org.openscience.cdk.interfaces | |
org.openscience.cdk.stereo |
Modifier and Type | Method and Description |
---|---|
static org.openscience.cdk.geometry.cip.LigancyFourChirality |
CIPTool.defineLigancyFourChirality(IAtomContainer container,
int chiralAtom,
int ligand1,
int ligand2,
int ligand3,
int ligand4,
ITetrahedralChirality.Stereo stereo)
Creates a ligancy four chirality around a single chiral atom, where the involved
atoms are identified by there index in the
IAtomContainer . |
Modifier and Type | Method and Description |
---|---|
ITetrahedralChirality.Stereo |
ITetrahedralChirality.getStereo()
Defines the stereochemistry around the chiral atom.
|
static ITetrahedralChirality.Stereo |
ITetrahedralChirality.Stereo.valueOf(String name)
Returns the enum constant of this type with the specified name.
|
static ITetrahedralChirality.Stereo[] |
ITetrahedralChirality.Stereo.values()
Returns an array containing the constants of this enum type, in
the order they are declared.
|
Modifier and Type | Method and Description |
---|---|
ITetrahedralChirality.Stereo |
TetrahedralChirality.getStereo()
Defines the stereochemistry around the chiral atom.
|
static ITetrahedralChirality.Stereo |
StereoTool.getStereo(IAtom atom1,
IAtom atom2,
IAtom atom3,
IAtom atom4)
Take four atoms, and return Stereo.CLOCKWISE or Stereo.ANTI_CLOCKWISE.
|
Constructor and Description |
---|
TetrahedralChirality(IAtom chiralAtom,
IAtom[] ligandAtoms,
ITetrahedralChirality.Stereo chirality)
Constructor to create a new
ITetrahedralChirality implementation instance. |