PROFASI  Version 1.5
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

## 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

The documentation for this class was generated from the following files:
• model/Aux/Shape.hh
• model/Aux/Shape.cc

PROFASI: Protein Folding and Aggregation Simulator, Version 1.5
© (2005-2016) Anders Irbäck and Sandipan Mohanty
Documentation generated on Mon Jul 18 2016 using Doxygen version 1.8.2