User 15d0f05125
04-01-2012 15:56:24
I am iterating through the bonds of a molecule.
//Code
for(int ip =0; ip<mol.getBondCount(); ip++){
MolBond bond = mol.getBond(ip);
// I have a query bond as a SMARTS String "
- !@!=
- "
// I would like to store only those bonds from mol, in a container, which matches the above SMARTS definition.
}
Can you please help me with that?