Detailed Description
Group of crystal symmetries with no translations.
Definition at line 18 of file PointGroup.h.
#include <PointGroup.h>
Public Member Functions | |
| template<int N> | |
| void | makeStar (const IntVector &root, FSArray< IntVector, N > &star) |
| Generate a set of reciprocal vectors that are related by symmetry. More... | |
 Public Member Functions inherited from Util::SymmetryGroup< PointSymmetry > | |
| SymmetryGroup () | |
| Default constructor. More... | |
| SymmetryGroup (const SymmetryGroup &other) | |
| Copy constructor. More... | |
| ~SymmetryGroup () | |
| Destructor. More... | |
| bool | add (PointSymmetry &symmetry) |
| Add a new element to the group. More... | |
| void | makeCompleteGroup () |
| Generate a complete group from the current elements. More... | |
| const PointSymmetry * | find (const PointSymmetry &symmetry) const |
| Find a symmetry within a group. More... | |
| const PointSymmetry & | identity () const |
| Return a reference to the identity element. More... | |
| int | size () const |
| Return number of elements in group. More... | |
| SymmetryGroup & | operator= (const SymmetryGroup &other) |
| Assignment operator. More... | |
| PointSymmetry & | operator[] (int i) |
| Element access operator (by reference). More... | |
| const PointSymmetry & | operator[] (int i) const |
| Element access operator (by reference). More... | |
| bool | isValid () const |
| Return true if valid complete group, or throw an Exception. More... | |
Friends | |
| std::ostream & | operator<< (std::ostream &out, const PointGroup &A) |
| Output stream inserter operator writing a PointGroup to stream. More... | |
Member Function Documentation
| void Util::PointGroup::makeStar | ( | const IntVector & | root, |
| FSArray< IntVector, N > & | star | ||
| ) |
Generate a set of reciprocal vectors that are related by symmetry.
- Parameters
-
root the reciprocal vector to which all others are related. star array containing all members of the star (on ouput).
Definition at line 47 of file PointGroup.h.
References Util::FSArray< Data, Capacity >::append(), Util::FSArray< Data, Capacity >::capacity(), Util::FSArray< Data, Capacity >::clear(), Util::FSArray< Data, Capacity >::size(), Util::SymmetryGroup< PointSymmetry >::size(), and UTIL_THROW.
Referenced by McMd::StructureFactorGrid::readParameters(), McMd::StructureFactorPGrid::readParameters(), DdMd::StructureFactorGrid::readParameters(), McMd::IntraStructureFactorGrid::readParameters(), and McMd::StructureFactorPGrid::save().
Friends And Related Function Documentation
|
friend |
Output stream inserter operator writing a PointGroup to stream.
Definition at line 8 of file PointGroup.cpp.
The documentation for this class was generated from the following file:
