IMP::saxs::DerivativeCalculator Class Reference

#include <IMP/saxs/DerivativeCalculator.h>

Inheritance diagram for IMP::saxs::DerivativeCalculator:

Public Member Functions
	DerivativeCalculator (const Profile *exp_profile)
void	compute_all_derivatives (const kernel::Particles &particles, const std::vector< kernel::Particles > &rigid_bodies, const std::vector< core::RigidBody > &rigid_bodies_decorators, const Profile *model_profile, const std::vector< double > &effect_size, DerivativeAccumulator *acc) const
std::vector< double >	compute_gaussian_effect_size (const Profile *model_profile, const ProfileFitter< ChiScore > *pf, bool use_offset=false) const
Public Member Functions inherited from IMP::base::Object
virtual void	clear_caches ()
virtual void	do_destroy ()
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.
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_chisquare_derivative (const Profile *model_profile, const kernel::Particles &particles1, const kernel::Particles &particles2, std::vector< algebra::Vector3D > &derivatives, const std::vector< double > &effect_size) const
	compute derivatives for particles1 with respect to particles2 More...
void	compute_chisquare_derivative (const Profile *model_profile, const kernel::Particles &particles, std::vector< algebra::Vector3D > &derivatives, const std::vector< double > &effect_size) const
	compute derivatives for particles More...
void	compute_intensity_derivatives (const DeltaDistributionFunction &delta_dist, const std::vector< Floats > &sinc_cos_values, unsigned int iq, algebra::Vector3D &dIdx) const
DeltaDistributionFunction	precompute_derivative_helpers (const Profile *resampled_model_profile, const kernel::Particles &particles1, const kernel::Particles &particles2, std::vector< Floats > &sinc_cos_values) const
Protected Member Functions inherited from IMP::base::Object
	Object (std::string name)
	Construct an object with the given name. More...
	Object ()

Protected Attributes
const Profile *	exp_profile_

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 23 of file DerivativeCalculator.h.

Member Function Documentation

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

protected

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 kernel::Particles &  particles, std::vector< algebra::Vector3D > &  derivatives, const std::vector< double > &  effect_size  ) const

protected

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 87 of file DerivativeCalculator.h.

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

• DerivativeCalculator.h