Searched refs:Vpoints (Results 1 – 3 of 3) sorted by relevance
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/ |
| H A D | WHIM.cpp | 220 double *Vpoints, double th) { in GetWHIMs() argument
307 auto *Vpoints = new double[3 * numAtoms]; in getWHIM() local
310 Vpoints[3 * i] = conf.getAtomPos(i).x; in getWHIM()
311 Vpoints[3 * i + 1] = conf.getAtomPos(i).y; in getWHIM()
312 Vpoints[3 * i + 2] = conf.getAtomPos(i).z; in getWHIM()
316 GetWHIMs(conf, w, Vpoints, th); in getWHIM()
317 delete[] Vpoints; in getWHIM()
356 auto *Vpoints = new double[3 * numAtoms]; in getWHIMone() local
359 Vpoints[3 * i] = conf.getAtomPos(i).x; in getWHIMone()
360 Vpoints[3 * i + 1] = conf.getAtomPos(i).y; in getWHIMone()
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| H A D | GETAWAY.cpp | 1166 void GetGETAWAYone(double* dist3D, double* AdjMat, std::vector<double> Vpoints, in GetGETAWAYone() argument
1179 double* vpoints = &Vpoints[0]; in GetGETAWAYone()
1195 void GetGETAWAY(double* dist3D, double* AdjMat, std::vector<double> Vpoints, in GetGETAWAY() argument
1208 double* vpoints = &Vpoints[0]; in GetGETAWAY()
1234 std::vector<double> Vpoints(3 * numAtoms); in GETAWAY() local
1237 Vpoints[3 * i] = conf.getAtomPos(i).x; in GETAWAY()
1238 Vpoints[3 * i + 1] = conf.getAtomPos(i).y; in GETAWAY()
1239 Vpoints[3 * i + 2] = conf.getAtomPos(i).z; in GETAWAY()
1255 GetGETAWAYone(dist3D, AdjMat, Vpoints, mol, conf, Heavylist, res, precision, in GETAWAY()
1261 GetGETAWAY(dist3D, AdjMat, Vpoints, mol, conf, Heavylist, res, precision); in GETAWAY()
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| /dports/math/py-mathics/Mathics3-2.2.0/mathics/doc/xml/ |
| H A D | data | 6651 Vpoints = NestList[.5(vertices[[ RandomInteger[{1,3}] ]] + #) &, {0.,0.}, 2000];
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