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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MolTransforms/Wrap/
H A DrdMolTransforms.cpp71 auto *axesNpy = (PyArrayObject *)PyArray_SimpleNew(2, dims, NPY_DOUBLE); in computePrincAxesMomentsHelper() local
72 auto *axesNpyData = reinterpret_cast<double *>(PyArray_DATA(axesNpy)); in computePrincAxesMomentsHelper()
85 PyTuple_SetItem(res, 0, (PyObject *)axesNpy); in computePrincAxesMomentsHelper()