public interface IDoubleBondStereochemistry extends IStereoElement
IBond
s that define the stereo element are defined as an array where the bonds
are sorted according to the linear connectivity. Thus, the first and third bonds are the two
bonds attached on either side of the double bond, and the second bond is the double bond.
The stereo annotation then indicates if the ligand atoms are in the cis position
(IDoubleBondStereochemistry.Conformation.TOGETHER
) or in the trans position (IDoubleBondStereochemistry.Conformation.OPPOSITE
), matching the
orientation of the methyls in but-2-ene respectively as Z and E.Modifier and Type | Interface and Description |
---|---|
static class |
IDoubleBondStereochemistry.Conformation
Enumeration that defines the two possible values for this stereochemistry type.
|
Modifier and Type | Method and Description |
---|---|
IBond[] |
getBonds()
Returns an array of ligand bonds around the double bond.
|
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.
|
getBuilder
IBond[] getBonds()
IBond
s.IDoubleBondStereochemistry.Conformation getStereo()
IDoubleBondStereochemistry.Conformation
for this stereo element.IDoubleBondStereochemistry map(Map<IAtom,IAtom> atoms, Map<IBond,IBond> bonds)
IStereoElement
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