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protocols::electron_density::VoxelSpacingMultifunc Class Reference

Bfactor multifunc. More...

#include <VoxelSpacingRefinementMover.hh>

Inheritance diagram for protocols::electron_density::VoxelSpacingMultifunc:
Inheritance graph
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Public Member Functions

 VoxelSpacingMultifunc (core::pose::Pose const &pose)
 
 ~VoxelSpacingMultifunc () override=default
 
core::Real operator() (core::optimization::Multivec const &vars) const override
 
void dfunc (core::optimization::Multivec const &vars, core::optimization::Multivec &dE_dvars) const override
 
void dump (core::optimization::Multivec const &x1, core::optimization::Multivec const &x2) const override
 Error state reached – derivative does not match gradient Derived classes have the oportunity to now output and or analyze the two vars assignments vars, vars+delta where the derivatives are incorrect. More...
 
void getMapSpacingAndOrigin (core::optimization::Multivec &x1, bool aniso)
 
void foldInChanges (core::pose::Pose &pose, core::optimization::Multivec &y)
 
- Public Member Functions inherited from core::optimization::Multifunc
 ~Multifunc () override=default
 Destructor. More...
 
virtual bool abort_min (Multivec const &) const
 Christophe added the following to allow premature end of minimization If you want to abort the minimizer under specific circonstances overload this function and return true if you want to stop, false if you want to continue. FOR THE MOMENT, ONLY IN DFPMIN! More...
 

Private Attributes

ObjexxFCL::FArray3D< core::RealrhoC_
 

Additional Inherited Members

- Public Types inherited from core::optimization::Multifunc
typedef utility::VirtualBase parent
 
- Protected Member Functions inherited from core::optimization::Multifunc
 Multifunc ()
 Default constructor. More...
 
 Multifunc (Multifunc const &)
 Copy constructor. More...
 
Multifuncoperator= (Multifunc const &)
 Copy assignment. More...
 

Detailed Description

Bfactor multifunc.

Constructor & Destructor Documentation

protocols::electron_density::VoxelSpacingMultifunc::VoxelSpacingMultifunc ( core::pose::Pose const &  pose)
protocols::electron_density::VoxelSpacingMultifunc::~VoxelSpacingMultifunc ( )
overridedefault

Member Function Documentation

void protocols::electron_density::VoxelSpacingMultifunc::dfunc ( core::optimization::Multivec const &  vars,
core::optimization::Multivec dE_dvars 
) const
overridevirtual
void protocols::electron_density::VoxelSpacingMultifunc::dump ( core::optimization::Multivec const &  ,
core::optimization::Multivec const &   
) const
overridevirtual

Error state reached – derivative does not match gradient Derived classes have the oportunity to now output and or analyze the two vars assignments vars, vars+delta where the derivatives are incorrect.

Reimplemented from core::optimization::Multifunc.

void protocols::electron_density::VoxelSpacingMultifunc::foldInChanges ( core::pose::Pose pose,
core::optimization::Multivec y 
)
void protocols::electron_density::VoxelSpacingMultifunc::getMapSpacingAndOrigin ( core::optimization::Multivec x1,
bool  aniso 
)
core::Real protocols::electron_density::VoxelSpacingMultifunc::operator() ( core::optimization::Multivec const &  vars) const
overridevirtual

Member Data Documentation

ObjexxFCL::FArray3D< core::Real > protocols::electron_density::VoxelSpacingMultifunc::rhoC_
private

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