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 More... | |
String | format () const |
return formatted String representation More... | |
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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 | |
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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. | |
orthogonal (Angstom) gradient, with respect to orthogonal x,y,z
|
inline |
orthogonal-fractional derivative conversion
cell | The cell concerned |
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.