prf::Shape Class Reference

Represents an abstract shape in space defined by a set of points. More...

#include <Shape.hh>

Public Member Functions
	Shape ()
	Create an empty Shape object.
	Shape (unsigned int i)
	Shape object with i points.
void	Resize (unsigned int i)
void	Point (int i, const Vector3 &v)
	Specify the location of i'th point.
Vector3	Point (int i) const
	Get the location of the i'th point.
PointRepresentation &	Points ()
	Return the whole vector of points.
int	NPoints () const
	Number of Points.
void	Translate (const Vector3 &t)
void	Rotate (double th, const Vector3 &ax)
	Rotate shape by angle th about axis ax, through center of mass.
void	Scale (double xscl, double yscl, double zscl)
	Scale x, y and z directions with different factors.
void	Apply1 (Matrix< double > &mtR)
	Linear transformation by applying a matrix R on every vector.
void	Apply2 (Matrix< double > &mtR)
	More linear transformation by applying a matrix R on every vector.
virtual void	Save (const char *fln)
	Save shape in a file.
void	find_cm ()
	find center of mass
void	find_and_move_to_cm ()
	Find CMS and translate coordinates such that it is at origin.
Vector3	center_of_mass () const
	Get center of mass.
double	gyr_r2 () const
	Get radius of gyration.

Detailed Description

The Shape is a helper class for the similarity measure RMSD. A shape in space is defined by the coordinates of an enumerated set of points. A Shape can be tranlated and rotated in space, and in general acted upon by a linear transformation.

Member Function Documentation

void Shape::Apply1

(

Matrix< double > &

mtR

)

Assumes that for mtR, the coordinates are column vectors

void Shape::Apply2

(

Matrix< double > &

mtR

)

Assumes that for mtR, the coordinates are row vectors

void Shape::Resize

(

unsigned int

i

)

Change number of points to i

void Shape::Translate

(

const Vector3 &

t

)

translate shape by vector t

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

• model/Aux/Shape.hh
• model/Aux/Shape.cc