Clipper
Public Member Functions | List of all members
clipper::Grad_orth< T > Class Template Reference

orthogonal (Angstom) gradient, with respect to orthogonal x,y,z More...

#include <derivs.h>

Inheritance diagram for clipper::Grad_orth< T >:
clipper::Vec3< 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

template<class T >
Grad_frac< T > clipper::Grad_orth< T >::grad_frac ( const Cell cell) const
inline

orthogonal-fractional derivative conversion

Parameters
cellThe cell concerned
Returns
The transformed derivative.
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: