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Searched refs:reducedOverlapPopulationMatrix (Results 1 – 3 of 3) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/External/YAeHMOP/
H A DEHTTools.cpp132 results.reducedOverlapPopulationMatrix = std::make_unique<double[]>(sz); in runMol()
133 memcpy(static_cast<void *>(results.reducedOverlapPopulationMatrix.get()), in runMol()
H A DEHTTools.h30 std::unique_ptr<double[]> reducedOverlapPopulationMatrix; member
/dports/science/rdkit/rdkit-Release_2021_03_5/External/YAeHMOP/Wrap/
H A DrdEHTTools.cpp99 return getSymmMatrixProp(self.reducedOverlapPopulationMatrix.get(), in getOPMatrix()