It doesn't work like that. Just use a map from OBAtom* to your matrix like
you would for any associations.
Note that objects allocated on the stack will disappear when you leave the
enclosing scope so you might want to use "new".
On 15 Mar 2017 9:33 p.m., "ivan.petit" <ivanlepe...@gmail.com> wrote:
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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