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IMP
2.2.0
The Integrative Modeling Platform
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IMP
2.2.0
The Integrative Modeling Platform
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#include <IMP/saxs/DerivativeCalculator.h>
Inheritance diagram for IMP::saxs::DerivativeCalculator:Public Member Functions | |
| DerivativeCalculator (const Profile *exp_profile) | |
| 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_gaussian_effect_size (const Profile *model_profile, const Float c, const Float offset, std::vector< double > &effect_size) 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_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... | |
Protected Attributes | |
| const Profile * | exp_profile_ |
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.
| 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 |
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.
| [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 |
| [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.