Hi obabel users,
I would like to store a 3x3 matrix data to OBAtom. Could you tell me the
right way to do that?
I tried a procedure like that
OBAtom Atm;
vector3 vec1(1,2,3), vec2(4,5,6), vec3(7,8,9);
OBMatrixData Mat;
Mat.SetData(matrix3x3(vec1, vec2, vec3));
Mat.SetAttribute("tensor");
Atm.SetData(&Mat);
Atm.GetData("tensor");
Atm.GetData("tensor") return an address but I don't know how use its and I
don't even if this address is associate to the matrix?
Thank you for your help !
Ivan
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