substructureMatcher

[Karen Karapetyan]

Hi,

The following code throws exception in .NET (1.1)

Indigo indigo = new Indigo();

IndigoObject IndigoMolecule = indigo.loadMolecule(attached);

string SMARTS = "[#7&v5]=O";

IndigoObject iq = indigo.loadSmarts(SMARTS);

return indigo.substructureMatcher(IndigoMolecule).match(iq);

The exception says: 

element: bad valence on N having 4 drawn bonds, charge -1, and 0 radical electrons

The attached molecule indeed has 2 nitrogens with 4 drawn bonds and charge of -1, but it is irrelevant for my purpose. Any way to ignore nitrogen valency and do the SSS?

[Mikhail Rybalkin]

Hello Karen,

Thank you for helping us by providing various bug reports! This issue has been fixed and you can try the latest Indigo version.

Best regards,

Mikhail