pydseamslib.cyoda.shapeMatchHC

Contents

pydseamslib.cyoda.shapeMatchHC#

pydseamslib.cyoda.shapeMatchHC(yCloud: pydseamslib.cyoda.PointCloudDouble, refPoints: Eigen::Matrix<double, -1, -1, 0, -1, -1>, cageUnit: cage::Cage, rings: List[List[int]], nList: List[List[int]], quat: List[float], rmsd: float) int#

Shape-matching for a target HC

Parameters:
  • yCloud (The input PointCloud)

  • refPoints (The point set of the reference system (or right system). This is a (n*3) Eigen matrix. Here, n is the number of particles.)

  • cageUnit (A vector of cage::Cage containing a units of HCs or DDCs)

  • nList (Row-ordered neighbour list, by index)

  • rings (Row-ordered vector of vectors for rings of a single type)

  • quat (The quaternion for the optimum rotation of the left system into the right system.)

  • rmsd (Root mean square distance)