Get the atom xyz file coordinates
When a xyz is imported, are the coordinates of the atoms saved somewhere? I don't find the proper element in SBAtom, getX is not the one...
Dear @Laëtitia ,
Yes, they are saved as well as other properties of an atom and you can access them as follows (see e.g. documentation on SBMStructuralModelNodeParticle class - a parent class to the SBAtom class):
SBAtom* atom = new SBAtom(element, SBQuantity::angstrom(x), SBQuantity::angstrom(y), SBQuantity::angstrom(z)); SBQuantity::length x = atom->getX(); SBPosition3 pos = atom->getPosition();
Tnaks for your answer.
I indeed used the getX, getY, getZ functions but somehow I have completly different value that in my xyz. I'll dig in ASAP.
If they differ by some order of magnitude, then it might be due to use of different quantities. e.g.
oh you're right there is a 100 coefficient, it's giving me the coordinate in pm. Didn't think about that.
thank you very much.