Searched refs:MatOrigin (Results 1 – 2 of 2) sorted by relevance
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/ |
H A D | WHIM.cpp | 87 MatrixXd Xmean = GetCenterMatrix(MatOrigin); in getWhimD() 231 MatrixXd MatOrigin = matorigin.transpose(); in GetWHIMs() local 237 wu = getWhimD(weightvector, MatOrigin, numAtoms, th); in GetWHIMs() 240 wm = getWhimD(weightvector, MatOrigin, numAtoms, th); in GetWHIMs() 243 wv = getWhimD(weightvector, MatOrigin, numAtoms, th); in GetWHIMs() 246 we = getWhimD(weightvector, MatOrigin, numAtoms, th); in GetWHIMs() 249 wp = getWhimD(weightvector, MatOrigin, numAtoms, th); in GetWHIMs() 252 wi = getWhimD(weightvector, MatOrigin, numAtoms, th); in GetWHIMs() 255 ws = getWhimD(weightvector, MatOrigin, numAtoms, th); in GetWHIMs() 288 MatrixXd MatOrigin = matorigin.transpose(); in GetWHIMsCustom() local [all …]
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H A D | GETAWAY.cpp | 1183 MatrixXd MatOrigin = matorigin.transpose(); in GetGETAWAYone() local 1185 MatrixXd Xmean = GetCenterMatrix(MatOrigin); in GetGETAWAYone() 1212 MatrixXd MatOrigin = matorigin.transpose(); in GetGETAWAY() local 1214 MatrixXd Xmean = GetCenterMatrix(MatOrigin); in GetGETAWAY()
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