Public Member Functions | |
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. | |
REAL | Xmin () const |
REAL | Xmax () const |
REAL | Ymin () const |
REAL | Ymax () const |
REAL | Zmin () const |
REAL | Zmax () const |
Private Attributes | |
REAL | mXmin |
REAL | mXmax |
REAL | mYmin |
REAL | mYmax |
REAL | mZmin |
REAL | mZmax |
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.