Rosetta Protocols  2014.35
Public Member Functions | Private Attributes | List of all members
protocols::pockets::FingerprintMultifunc Class Reference

Atom tree multifunction class. More...

#include <FingerprintMultifunc.hh>

Public Member Functions

 FingerprintMultifunc (NonPlaidFingerprint &nfp_in, PlaidFingerprint &pfp_in, core::Real const &missing_point_weight, core::Real const &steric_weight, core::Real const &extra_point_weight, core::Size const nconformers)
 
virtual ~FingerprintMultifunc ()
 Destructor. More...
 
virtual core::Real operator() (core::optimization::Multivec const &vars) const
 
virtual void dfunc (core::optimization::Multivec const &vars, core::optimization::Multivec &dE_dvars) const
 
virtual void dump (core::optimization::Multivec const &vars) const
 Error state reached; dump out current pdb. More...
 
- Public Member Functions inherited from core::optimization::Multifunc
virtual void dump (Multivec const &, Multivec const &) const
 

Private Attributes

NonPlaidFingerprintnfp_
 
PlaidFingerprintpfp_
 
core::Real missing_pt_
 
core::Real steric_
 
core::Real extra_pt_
 
core::Size nconformers_
 

Detailed Description

Atom tree multifunction class.

Constructor & Destructor Documentation

protocols::pockets::FingerprintMultifunc::FingerprintMultifunc ( NonPlaidFingerprint nfp_in,
PlaidFingerprint pfp_in,
core::Real const &  missing_point_weight,
core::Real const &  steric_weight,
core::Real const &  extra_point_weight,
core::Size const  nconformers 
)
virtual protocols::pockets::FingerprintMultifunc::~FingerprintMultifunc ( )
inlinevirtual

Destructor.

Member Function Documentation

void protocols::pockets::FingerprintMultifunc::dfunc ( core::optimization::Multivec const &  vars,
core::optimization::Multivec dE_dvars 
) const
virtual
void protocols::pockets::FingerprintMultifunc::dump ( core::optimization::Multivec const &  vars) const
virtual

Error state reached; dump out current pdb.

Useful debugging code that can be re-enabled by changing the boolean variables at the top of this file.

core::Real protocols::pockets::FingerprintMultifunc::operator() ( core::optimization::Multivec const &  vars) const
virtual

Member Data Documentation

core::Real protocols::pockets::FingerprintMultifunc::extra_pt_
private

Referenced by dfunc(), and operator()().

core::Real protocols::pockets::FingerprintMultifunc::missing_pt_
private

Referenced by dfunc(), and operator()().

core::Size protocols::pockets::FingerprintMultifunc::nconformers_
private

Referenced by operator()().

NonPlaidFingerprint& protocols::pockets::FingerprintMultifunc::nfp_
private

Referenced by dfunc(), and operator()().

PlaidFingerprint& protocols::pockets::FingerprintMultifunc::pfp_
private

Referenced by dfunc(), and operator()().

core::Real protocols::pockets::FingerprintMultifunc::steric_
private

Referenced by dfunc(), and operator()().


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