OETransformDesignUnitΒΆ

Attention

PRELIMINARY-IMAGE This is a preliminary API until Fall 2020 and may be improved based on user feedback. It is currently available in C++ and Python.

void OETransformDesignUnit(OEDesignUnit& du,
                      const double *rmat,
                      const double *trns);

void OETransformDesignUnit(OEDesignUnit& du,
                      const OEChem::OETrans& trans);

The function transforms an OEDesignUnit object based on the transformations contained in the OETrans object or on the transformation matrices provided. Transformation matrices can be calculcated, for example, by using OERMSD or OEStructuralSuperposition.