orthogonal (Angstom) gradient, with respect to orthogonal x,y,z More...
#include <derivs.h>
Inheritance diagram for clipper::Grad_orth< T >:
Public Member Functions | |
| Grad_orth () | |
| null constructor | |
| Grad_orth (const Vec3< T > &v) | |
| constructor: copy/convert | |
| Grad_orth (const T &dx, const T &dy, const T &dz) | |
| constructor: from d/dx,d/dy,d/dz | |
| const T & | dx () const |
| get d/dx | |
| const T & | dy () const |
| get d/dy | |
| const T & | dz () const |
| get d/dz | |
| Grad_frac< T > | grad_frac (const Cell &cell) const |
| orthogonal-fractional derivative conversion | |
| String | format () const |
| return formatted String representation | |
Detailed Description
template<class T>
class clipper::Grad_orth< T >
orthogonal (Angstom) gradient, with respect to orthogonal x,y,z
Member Function Documentation
template<class T >
| Grad_frac< T > clipper::Grad_orth< T >::grad_frac | ( | const Cell & | cell | ) | const [inline] |
orthogonal-fractional derivative conversion
- Parameters:
-
cell The cell concerned
- Returns:
- The transformed derivative.
References clipper::Cell::matrix_orth().
template<class T >
| String clipper::Grad_orth< T >::format | ( | ) | const |
return formatted String representation
The result is an RT operator. This is a redudent representation, but is handy for assembling compound operators.
- Returns:
- The operator
- The formatted text string
Reimplemented from clipper::Vec3< T >.
The documentation for this class was generated from the following file:
