namespace topoparam

Overview

namespace topoparam {
 
// global functions
 
double normHeightPercent(const molSys::PointCloud<molSys::Point<double>, double>& yCloud, int nPrisms, double avgPrismHeight);
std::vector<double> calcCoverageArea(const molSys::PointCloud<molSys::Point<double>, double>& yCloud, const std::vector<std::vector<int>>& rings, double sheetArea);
std::vector<double> projAreaSingleRing(const molSys::PointCloud<molSys::Point<double>, double>& yCloud, const std::vector<int>& ring);
 
} // namespace topoparam

Detailed Documentation

Global Functions

double normHeightPercent(const molSys::PointCloud<molSys::Point<double>, double>& yCloud, int nPrisms, double avgPrismHeight)

Calculates the height%, an average measure of filled volume.

The average height of a prism can be taken to be 2.75-2.85 Angstrom. (Koga et. al., 2001)

std::vector<double> calcCoverageArea(const molSys::PointCloud<molSys::Point<double>, double>& yCloud, const std::vector<std::vector<int>>& rings, double sheetArea)

Calculates the coverage area%, an area-based measure of relative proportion of monolayer ices.

std::vector<double> projAreaSingleRing(const molSys::PointCloud<molSys::Point<double>, double>& yCloud, const std::vector<int>& ring)

Calculates the projected area on the XY, YZ and XZ planes.