The chemaxon.struc.MolBond class is used to represent chemical bond. To create a MolBond object, one of these constructor methods can be used:
MolBond(MolAtom a1, MolAtom a2, int f)
MolBond(MolAtom a1, MolAtom a2)
MolBond(MolBond b)
MolAtom objects in the constructors defines between
which atoms is the bond defined. The int f constant defines
the type of the bond. The value can be:
MolBond.AROMATIC - aromatic bond MolBond.SINGLE_OR_DOUBLE
- bond, that can be both single and double MolBond.SINGLE_OR_AROMATIC
- bond, that can be both single and aromatic MolBond.DOUBLE_OR_AROMATIC
- bond, that can be both double and aromatic MolBond.CONJUGATED - conjugated bond MolBond.COORDINATE - coordinated bond MolBond.UP - single bond up MolBond.DOWN - single bond down MolBond.WAVY - single bond up or down MolBond.STEREO1_MASK - single bond stereo mask.
It is the same as UP | DOWN MolBond.STEREO2_CARE - Cis/trans info of this bond
is taken care of during the SSS process, used only for query bonds MolBond.STEREO_MASK - Single and double bond stereo
mask. It is the same as
STEREO1_MASK | CTUMASK | STEREO2_CARE MolBond.ANY - any bond Similarly to the MolAtom the constructed MolBond object should be added to the molecule it belongs to.
The following table summerizes if the properties of the MolAtom have
set or
get methods.
|
property |
set |
get |
note |
|
Index |
× |
✔ |
assigned automatically |
|
2 endpoints – 2 nodes |
✔ |
✔ |
|
|
Type |
✔ |
✔ |
|
|
Stereo information |
✔ |
✔ |
wedge / double bond stereo detailed in stereochemistry |
|
Previous chapter |
Next chapter |