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)