Package | Description |
---|---|
org.openscience.cdk.geometry.cip | |
org.openscience.cdk.geometry.cip.rules |
Modifier and Type | Class and Description |
---|---|
class |
ImplicitHydrogenLigand
Subclass of
Ligand to which no further recursion must be applied. |
class |
Ligand
Concept of a ligand in CIP terms, reflecting a side chain of a central atom that can
have precedence over another.
|
Modifier and Type | Method and Description |
---|---|
static ILigand |
CIPTool.defineLigand(IAtomContainer container,
VisitedAtoms visitedAtoms,
int chiralAtom,
int ligandAtom)
Creates a ligand attached to a single chiral atom, where the involved
atoms are identified by there index in the
IAtomContainer . |
static ILigand[] |
CIPTool.getLigandLigands(ILigand ligand)
Returns a CIP-expanded array of side chains of a ligand.
|
static ILigand[] |
CIPTool.order(ILigand[] ligands)
Reorders the
ILigand objects in the array according to the CIP rules. |
Modifier and Type | Method and Description |
---|---|
static boolean |
CIPTool.checkIfAllLigandsAreDifferent(ILigand[] ligands)
Checks if each next
ILigand is different from the previous
one according to the CIPLigandRule . |
static ILigand[] |
CIPTool.getLigandLigands(ILigand ligand)
Returns a CIP-expanded array of side chains of a ligand.
|
static ILigand[] |
CIPTool.order(ILigand[] ligands)
Reorders the
ILigand objects in the array according to the CIP rules. |
Modifier and Type | Method and Description |
---|---|
int |
CIPLigandRule.compare(ILigand ligand1,
ILigand ligand2)
Compares two ligands according to the particular sequence sub rule.
|
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