The Gnome Chemistry Utils  0.13.7
Public Member Functions
gcu::Transform3d Class Reference

Handle 3D transformations, such as space group definitions. More...

#include <gcu/transform3d.h>

Inheritance diagram for gcu::Transform3d:
gcu::Matrix gcu::Vector

List of all members.

Public Member Functions

 Transform3d ()
 Transform3d (Matrix const &m, Vector const &v)
 Transform3d (double s)
 Transform3d (Vector row1, Vector row2, Vector row3, Vector translation)
 Transform3d (double d[3][3], double t[3])
virtual ~Transform3d ()
Vector operator* (Vector const &v) const
Transform3d operator* (Transform3d const &t) const
std::string DescribeAsString () const
std::string DescribeAsValues () const
void Normalize ()

Detailed Description

Handle 3D transformations, such as space group definitions.

Since:
version 0.12
See also:
SpaceGroup

Describes a spatial trnasformation obtained by the combination of a symmetry operation and a translation.

Definition at line 42 of file transform3d.h.


Constructor & Destructor Documentation

The default constructor. Initializes all coordinates to 0.

gcu::Transform3d::Transform3d ( Matrix const &  m,
Vector const &  v 
)
Parameters:
ma symmetry operation matrix.
va translation vector.

Constructs a new Transform3d from its symmetry operation matrix and its translation vector.

Parameters:
sa scalar.

Constructs a new Transform3d from a scalar matrix and a null translation vector.

gcu::Transform3d::Transform3d ( Vector  row1,
Vector  row2,
Vector  row3,
Vector  translation 
)
Parameters:
row1first matrix row.
row2second matrix row.
row3third matrix row.
translationthe translation vector.

Constructs a new Transform3d from the three rows of its symmetry operation matrix and its translation vector.

gcu::Transform3d::Transform3d ( double  d[3][3],
double  t[3] 
)
Parameters:
dthe coefficients of a symmetry operation matrix.
tthe coefficients of a translation vector.

Constructs a new Transform3d from the coefficients of its symmetry operation matrix and its translation vector.

virtual gcu::Transform3d::~Transform3d ( ) [virtual]

The destructor.


Member Function Documentation

std::string gcu::Transform3d::DescribeAsString ( ) const
Returns:
the transform dexcription in CIF convention, such as "x,y,z".
std::string gcu::Transform3d::DescribeAsValues ( ) const
Returns:
the transform description in CML convention, limiting to the twelve first values, such as "1.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 1.0 0.0".

Ensure that the translation vector coordinates are all in the interval [0,1[.

Vector gcu::Transform3d::operator* ( Vector const &  v) const
Parameters:
vthe vector to transform.

Transforms a vector (multiply by the symmetry matrix and add the translation vector).

Returns:
the transformed vector.

Reimplemented from gcu::Matrix.

Transform3d gcu::Transform3d::operator* ( Transform3d const &  t) const
Parameters:
ta Transform3d.

Combines two Transform3d instances a vector.

Returns:
the combination of the two transforms.

The documentation for this class was generated from the following file: