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 More... | |
| String | format () const |
| return formatted String representation More... | |
 Public Member Functions inherited from clipper::Vec3< T > | |
| Vec3 () | |
| null constructor | |
| Vec3 (const T &v0, const T &v1, const T &v2) | |
| constructor: from individual values | |
| template<class TT > | |
| Vec3 (const Vec3< TT > &v) | |
| constructor: copy/convert | |
| bool | equals (const Vec3< T > &v, const T &tol) const |
| test equality | |
| const T & | operator[] (const int &i) const |
| get element | |
| T & | operator[] (const int &i) |
| set element | |
| Vec3< T > | unit () const |
| return unit vector with same direction as this vector | |
| bool | is_null () const |
| test for null vector | |
| String | format () const |
| return formatted String representation | |
| const Vec3< T > & | operator+= (const Vec3< T > &v) |
| add another vector to this one | |
| const Vec3< T > & | operator-= (const Vec3< T > &v) |
| subtract another vector from this one | |
Additional Inherited Members | |
| Static Public Member Functions inherited from clipper::Vec3< T > | |
| static Vec3< T > | zero () |
| return zero vector | |
| static Vec3< T > | null () |
| return null vector (only valid for floating point types) | |
| static T | dot (const Vec3< T > &v1, const Vec3< T > &v2) |
| Vector dot product (equivalent to *) | |
| static Vec3< T > | cross (const Vec3< T > &v1, const Vec3< T > &v2) |
| Vector cross product. | |
Detailed Description
template<class T>
class clipper::Grad_orth< T >
orthogonal (Angstom) gradient, with respect to orthogonal x,y,z
Member Function Documentation
◆ grad_frac()
template<class T >
|
inline |
orthogonal-fractional derivative conversion
- Parameters
-
cell The cell concerned
- Returns
- The transformed derivative.
◆ format()
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
The documentation for this class was generated from the following file:
