Public Methods | |
AsymmetricUnit () | |
Default Constructor. | |
AsymmetricUnit (const SpaceGroup &spg) | |
Constructor, for a given spacegroup. | |
void | SetSpaceGroup (const SpaceGroup &spg) |
Assign a SpaceGroup and generate the corrsponding Xmax, Ymax, ZMax. | |
bool | IsInAsymmetricUnit (const REAL x, const REAL y, const REAL z) const |
Test if (x,y,z) is in the asymmetric unit. |
Only xmin,xmax,ymin,ymax and zmin,zmax are recorded, thus resulting in a parallelepipedic unit with one (0,0,0) corner. It is not really 'asymmetric' since more than the crystallographic asymmetric unit can be included in it.