#include <SpaceGroup.h>
Public Methods | |
AsymmetricUnit () | |
Default Constructor. | |
AsymmetricUnit (const SpaceGroup &spg) | |
Constructor, for a given spacegroup. | |
~AsymmetricUnit () | |
void | SetSpaceGroup (const SpaceGroup &spg) |
Assign a SpaceGroup and generate the corrsponding Xmax, Ymax, ZMax. | |
bool | IsInAsymmetricUnit (const double x, const double y, const double z) const |
Test if (x,y,z) is in the asymmetric unit. | |
double | Xmin () const |
double | Xmax () const |
double | Ymin () const |
double | Ymax () const |
double | Zmin () const |
double | Zmax () const |
Private Attributes | |
double | mXmin |
double | mXmax |
double | mYmin |
double | mYmax |
double | mZmin |
double | 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.