OBMol.GetCoordinates returns a C array and it is not accesseble from Python.
( <swig object="" of="" type="" 'double="" *'="" at="" 0x10d487f90=""> ) </swig>
It is making sense. Thanks for prompt reply.
Just for completeness , also OBAtom.GetVector() seems doesn't work :
<openbabel.vector3; proxy="" of="" \<swig="" object="" type="" 'openbabel::vector3="" *'="" at="" 0x114085480=""> ></openbabel.vector3;>
On the other hand, is true that, the coordinates are accessible via OBAtom.GetX(),OBAtom.GetY(),OBAtom.GetZ().
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Good point, GetX(), etc. is probably the best way. GetVector() is working, but if you look at the OB API, you need to call GetX(), etc. on that to actually get the values.
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This is correct, but as the coordinates are accessible via OBAtom.GetVector(), I don't plan to implement access to this.
It is making sense. Thanks for prompt reply.
Just for completeness , also OBAtom.GetVector() seems doesn't work :
<openbabel.vector3; proxy="" of="" \<swig="" object="" type="" 'openbabel::vector3="" *'="" at="" 0x114085480=""> ></openbabel.vector3;>
On the other hand, is true that, the coordinates are accessible via OBAtom.GetX(),OBAtom.GetY(),OBAtom.GetZ().
Good point, GetX(), etc. is probably the best way. GetVector() is working, but if you look at the OB API, you need to call GetX(), etc. on that to actually get the values.