layout method is extremely slow

[pshen...@gmail.com]

Hello,

could you check the layout method on attached molecule? It works extremely slow... about 5 mins.

I just do 

                var mol = indigo.loadMolecule(molecule);

                mol.layout();

Indigo initiated with the options:

            indigo.setOption("ignore-noncritical-query-features", true);

            indigo.setOption("ignore-stereochemistry-errors", true);

Thanks in advance,

Alexey

[Savelyev Alexander]

Dear Alexey,

I can confirm that standard layout work slow with the provided structure. The issue is that the structure is highly symmetric and contains many atoms and bonds (410).
I can only suggest to use a new algorithm for layout: "smart-layout" available from 1.3.0beta. Here one can find some examples
Using the new layout it takes about 40 seconds still.
Also, you can try out max iteration option. For example, the following code works in 0.4 seconds

mol = indigo.loadMoleculeFromFile('layout/very_slow_layout.mol')

indigo.setOption("smart-layout", "true")
indigo.setOption("layout-max-iterations", 10)
mol.layout()

mol.saveMolfile('layout/smart_out.mol')

And as a result it generates the layout attached

Thanks
Alexander