@TestClass(value="org.openscience.cdk.stereo.DoubleBondStereochemistryTest") public class DoubleBondStereochemistry extends Object implements IDoubleBondStereochemistry
IDoubleBondStereochemistry
for
further details.IDoubleBondStereochemistry
IDoubleBondStereochemistry.Conformation
Constructor and Description |
---|
DoubleBondStereochemistry(IBond stereoBond,
IBond[] ligandBonds,
IDoubleBondStereochemistry.Conformation stereo)
Creates a new double bond stereo chemistry.
|
Modifier and Type | Method and Description |
---|---|
IBond[] |
getBonds()
Returns an array of ligand bonds around the double bond.
|
IChemObjectBuilder |
getBuilder()
Returns a
IChemObjectBuilder for the data classes that extend
this class. |
IDoubleBondStereochemistry.Conformation |
getStereo()
Defines the stereochemistry around the double bond.
|
IBond |
getStereoBond()
IBond that is the stereo center. |
IDoubleBondStereochemistry |
map(Map<IAtom,IAtom> atoms,
Map<IBond,IBond> bonds)
Map the atoms/bonds in this instance to a new stereo element using the
provided atom/bond mapping.
|
void |
setBuilder(IChemObjectBuilder builder)
Sets a new
IChemObjectBuilder . |
public DoubleBondStereochemistry(IBond stereoBond, IBond[] ligandBonds, IDoubleBondStereochemistry.Conformation stereo)
ligandBonds[0]
, stereoBonds
, and ligandBonds[1]
.@TestMethod(value="testBuilder") public void setBuilder(IChemObjectBuilder builder)
IChemObjectBuilder
.builder
- the new IChemObjectBuilder
to be returnedgetBuilder()
@TestMethod(value="testBuilder") public IChemObjectBuilder getBuilder()
IChemObjectBuilder
for the data classes that extend
this class.getBuilder
in interface ICDKObject
IChemObjectBuilder
matching this ICDKObject
@TestMethod(value="testGetBonds") public IBond[] getBonds()
getBonds
in interface IDoubleBondStereochemistry
IBond
s.@TestMethod(value="testGetStereoBond") public IBond getStereoBond()
IBond
that is the stereo center.getStereoBond
in interface IDoubleBondStereochemistry
IBond
.@TestMethod(value="testGetStereo") public IDoubleBondStereochemistry.Conformation getStereo()
getStereo
in interface IDoubleBondStereochemistry
IDoubleBondStereochemistry.Conformation
for this stereo element.@TestMethod(value="testMap_Map_Map,testMap_Null_Map,testMap_Map_Map_NullElement,testMap_Map_Map_EmptyMapping") public IDoubleBondStereochemistry map(Map<IAtom,IAtom> atoms, Map<IBond,IBond> bonds)
IStereoElement
map
in interface IDoubleBondStereochemistry
map
in interface IStereoElement
atoms
- non-null atom mapping, used to convert the original atoms to their mapped
counterpartsbonds
- non-null bond mapping, used to convert the original bonds to their mapped
counterparts