Clipper
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orthogonal (Angstom) gradient, with respect to orthogonal x,y,z More...
#include <derivs.h>
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 |
orthogonal (Angstom) gradient, with respect to orthogonal x,y,z
Grad_frac< T > clipper::Grad_orth< T >::grad_frac | ( | const Cell & | cell | ) | const [inline] |
orthogonal-fractional derivative conversion
cell | The cell concerned |
References clipper::Cell::matrix_orth().
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.
Reimplemented from clipper::Vec3< T >.