IMP::atom::RMSDCalculator Class Reference

Used to calculate rmsd between multiple transformation that operate on the same particles. More...

#include <IMP/atom/distance.h>

Public Member Functions
	RMSDCalculator (const ParticlesTemp &ps)
	Constructor. More...
double	get_rmsd (const algebra::Transformation3D &t1, const algebra::Transformation3D &t2)
	Get rmsd between two transformations. More...
double	get_squared_rmsd (const algebra::Transformation3D &t1, const algebra::Transformation3D &t2)
	Get the squared rmsd between two transformations.
void	show (std::ostream &out=std::cout) const

Detailed Description

The constructor takes a list of particles defining the thing which is having its rmsd calculated.

Definition at line 285 of file distance.h.

Constructor & Destructor Documentation

IMP::atom::RMSDCalculator::RMSDCalculator

(

const ParticlesTemp &

ps

)

Parameters

[in]

ps

the particles on which the transformation operate. RMSD will be calculate on these particles.

Member Function Documentation

double IMP::atom::RMSDCalculator::get_rmsd	(	const algebra::Transformation3D &	t1,
		const algebra::Transformation3D &	t2
	)

  The number returned is equilavent to the pseudo code

get_rmsd(t1.get_transformed(ps),
         t2.get_transformed(ps));

where ps is the list of particles passed to the constructor.

Definition at line 303 of file distance.h.

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

• distance.h