OEGetMomentsOfInertiaTransformΒΆ

unsigned int OEGetMomentsOfInertiaTransform(OEChem::OETrans& argTransform,
                                            const OEChem::OEMolBase & argMol,
                                            const double argThreshold = 0.15);

unsigned int OEGetMomentsOfInertiaTransform(OEChem::OETrans& argTransform,
                                            const OESystem::OEScalarGrid &argGrid,
                                            const double argThreshold = 0.15);

unsigned int OEGetMomentsOfInertiaTransform(OEChem::OETrans& argTransform,
                                            const OEShapeQuery& argQuery,
                                            const double argThreshold = 0.15);

Calculate the transform required to move the object (the specified molecule, grid or the shape query) to the center of its inertial frame. Method returns the moments symmetry of the obejct defined in the OEMomentSymmetry namespace. The required transform is returned in the first argument.