struct cage::EdgeWindow

Overview

Inclusive length window on each face edge, in the coordinate units of the frame. More…

#include <src/include/internal/cage_enum.hpp>
 
struct EdgeWindow {
    // fields
 
    bool enabled = true;
    double lo = 2.65;
    double hi = 3.15;
};

Detailed Documentation

Inclusive length window on each face edge, in the coordinate units of the frame.

The default covers the oxygen-oxygen contacts of the reference water cells when those units are angstroms. enabled == false leaves the cage bound to the face census. A null coordinate pointer skips the test as well.