FOX/ObjCryst++
1.10.X (development)

A scattering position in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower. More...
Public Member Functions  
bool  operator== (const ScatteringComponent &rhs) const 
bool  operator!= (const ScatteringComponent &rhs) const 
void  Print () const 
Print one line oabout this component.  
Public Attributes  
REAL  mX 
Coordinates of scattering positions i the crystal with the corresponding occupancy.  
REAL  mY 
REAL  mZ 
REAL  mOccupancy 
const ScatteringPower *  mpScattPow 
The ScatteringPower associated with this position.  
REAL  mDynPopCorr 
Dynamical Population Correction. More...  
A scattering position in a crystal, associated with the corresponding occupancy and a pointer to the ScatteringPower.
Also given is the
Definition at line 455 of file ScatteringPower.h.

mutable 
Dynamical Population Correction.
The population of any atom is given by mOccupancy*mDynPopCorr. mPopu is the real mOccupancy (0<.<1), and should be the only one used during a refinement. However during a model search for the structure, atoms may fall unexpectedly in a special position or with an overlap of two atoms (the shared oxygen between two polyhedras, for example). In these cases it is necessary to dynamically correct the population during the generation of structural models. See also Crystal::CalcDynPopCorr
Definition at line 479 of file ScatteringPower.h.