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Searched refs:Point3DPtrVect (Results 1 – 4 of 4) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/DistGeom/
H A DDistGeomUtils.h138 const BoundsMatrix &mmat, RDGeom::Point3DPtrVect &positions,
155 const BoundsMatrix &mmat, RDGeom::Point3DPtrVect &positions,
171 const BoundsMatrix &mmat, RDGeom::Point3DPtrVect &positions,
189 const BoundsMatrix &mmat, RDGeom::Point3DPtrVect &positions,
H A DDistGeomUtils.cpp241 const BoundsMatrix &mmat, RDGeom::Point3DPtrVect &positions, in construct3DForceField()
368 const BoundsMatrix &mmat, RDGeom::Point3DPtrVect &positions, in construct3DForceField()
387 const BoundsMatrix &mmat, RDGeom::Point3DPtrVect &positions, in constructPlain3DForceField()
473 const BoundsMatrix &mmat, RDGeom::Point3DPtrVect &positions, in construct3DImproperForceField()
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/Geometry/
H A Dpoint.h523 typedef std::vector<RDGeom::Point3D *> Point3DPtrVect; typedef
525 typedef Point3DPtrVect::iterator Point3DPtrVect_I;
526 typedef Point3DPtrVect::const_iterator Point3DPtrVect_CI;
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/DistGeomHelpers/
H A DEmbedder.cpp571 RDGeom::Point3DPtrVect positions3D; in minimizeWithExpTorsions()