Detailed Description

A class for computing derivatives with respect to SAXS Note: the calculation is expensive, make sure it helps if you use it!

Definition at line 22 of file DerivativeCalculator.h.

Public Member Functions
	DerivativeCalculator (const Profile *exp_profile)

void	compute_chisquare_derivative (const Profile *model_profile, const Particles &particles1, const Particles &particles2, Vector< algebra::Vector3D > &derivatives, const Vector< double > &effect_size) const
	compute derivatives for particles1 with respect to particles2 More...

void	compute_chisquare_derivative (const Profile *model_profile, const Particles &particles, Vector< algebra::Vector3D > &derivatives, const Vector< double > &effect_size) const
	compute derivatives for particles More...

void	compute_gaussian_effect_size (const Profile *model_profile, const double c, const double offset, Vector< double > &effect_size) const

Public Member Functions inherited from IMP::Object
virtual void	clear_caches ()

CheckLevel	get_check_level () const

LogLevel	get_log_level () const

virtual VersionInfo	get_version_info () const
	Get information about the module and version of the object. More...

void	set_check_level (CheckLevel l)

void	set_log_level (LogLevel l)
	Set the logging level used in this object. More...

void	set_was_used (bool tf) const

void	show (std::ostream &out=std::cout) const

const std::string &	get_name () const

void	set_name (std::string name)

virtual std::string	get_type_name () const

Protected Member Functions
void	compute_intensity_derivatives (const DeltaDistributionFunction &delta_dist, const Vector< Vector< double > > &sinc_cos_values, unsigned int iq, algebra::Vector3D &dIdx) const

DeltaDistributionFunction	precompute_derivative_helpers (const Profile *resampled_model_profile, const Particles &particles1, const Particles &particles2, Vector< Vector< double > > &sinc_cos_values) const

Protected Member Functions inherited from IMP::Object
	Object (std::string name)
	Construct an object with the given name. More...

virtual void	do_destroy ()

Protected Attributes
const Profile *	exp_profile_

Member Function Documentation

void IMP::saxs::DerivativeCalculator::compute_chisquare_derivative	(	const Profile *	model_profile,
		const Particles &	particles1,
		const Particles &	particles2,
		Vector< algebra::Vector3D > &	derivatives,
		const Vector< double > &	effect_size
	)		const

compute derivatives for particles1 with respect to particles2

This method is needed for rigid bodies when particles1 and particles2 are particles of two rigid bodies. In this case the particles of the same rigid body are ignored.

Parameters

[in]	model_profile	The current profile of particles
[in]	particles1	Derivative will be computed for each particle
[in]	particles2	Derivative will be computed relative to this set
[in]	derivatives	Output vector
[in]	effect_size	Effect size

void IMP::saxs::DerivativeCalculator::compute_chisquare_derivative	(	const Profile *	model_profile,
		const Particles &	particles,
		Vector< algebra::Vector3D > &	derivatives,
		const Vector< double > &	effect_size
	)		const

compute derivatives for particles

Parameters

[in]	model_profile	The current profile of particles
[in]	particles	Derivative will be computed for each particle
[in]	derivatives	Output vector
[in]	effect_size	Effect size

Definition at line 50 of file DerivativeCalculator.h.

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

DerivativeCalculator.h

Detailed Description

Public Member Functions

Protected Member Functions

Protected Attributes

Member Function Documentation