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IMP
2.4.0
The Integrative Modeling Platform
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IMP
2.4.0
The Integrative Modeling Platform
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#include <IMP/saxs/DerivativeCalculator.h>
Inheritance diagram for IMP::saxs::DerivativeCalculator: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 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 () |
| 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 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... | |
| virtual void | do_destroy () |
Protected Attributes | |
| const Profile * | exp_profile_ |
| 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 |
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.
| [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 |
compute derivatives for particles
| [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.