User 870ab5b546
26-04-2013 13:27:02
Hi,
When I add a series of MolAtoms to a SelectionMolecule, the Marvin 5.11.5 API does not also add the MolBonds connecting those MolAtoms to the SelectionMolecule, contrary to the behavior of the GUI. Is this is a bug or a feature? I would prefer that the MolBonds be also added. If I want to store the MolAtoms without the MolBonds, I can use an ArrayList<MolAtom>.
-- Bob
ChemAxon 044c6721bc
29-04-2013 07:52:37
| bobgr wrote: |
Hi, When I add a series of MolAtoms to a SelectionMolecule, the Marvin 5.11.5 API does not also add the MolBonds connecting those MolAtoms to the SelectionMolecule, contrary to the behavior of the GUI. Is this is a bug or a feature? I would prefer that the MolBonds be also added. If I want to store the MolAtoms without the MolBonds, I can use an ArrayList<MolAtom>. -- Bob |
Hi,
This is a feature of the GUI. In the API, we don't want to add the MolBonds to the selection, because finding the bonds slows down this method.
Janos
User 870ab5b546
29-04-2013 12:54:23
Hm. Ok, two suggestions. One, please note in the documentation for SelectionMolecule.add(MolAtom) that bonds to other atoms already in the SelectionMolecule will NOT be added. Two, I suggest you add a new method, SelectionMolecule.addAtom(MolAtom, boolean) where the value of boolean determines whether associated bonds are added as well.
ChemAxon 044c6721bc
29-04-2013 13:59:40
| bobgr wrote: |
Hm. Ok, two suggestions. One, please note in the documentation for SelectionMolecule.add(MolAtom) that bonds to other atoms already in the SelectionMolecule will NOT be added. Two, I suggest you add a new method, SelectionMolecule.addAtom(MolAtom, boolean) where the value of boolean determines whether associated bonds are added as well. |
Hi,
OK, if this method is usefull for you, we can write it.
Of course we uptade the APIdoc.
Janos
User 870ab5b546
29-08-2013 19:06:05
Hi, when will this new method be added, and when will the documentation for MoleculeGraph.add(MolAtom) be updated? (SelectionMolecule.add(MolAtom) is simply inherited from MoleculeGraph.)
ChemAxon 044c6721bc
02-09-2013 08:53:53
Hi Bob,
The new method is ready, it will be released in 6.1. The new method is:
SelectionMolecule.add(MolAtom, boolean).
The APIDOC update is also done.