Get the atom xyz file coordinates

[Laëtitia]

Hello,

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...

Thanks

Laëtitia

[DmitriyMarin]

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();

[Laëtitia]

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.

[DmitriyMarin]

If they differ by some order of magnitude, then it might be due to use of different quantities. e.g. SBQuantity::length (which is SBQuantity::picometer) or SBQuantity::angstrom.

[Laëtitia]

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.