RxDock 0.1.0
A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids
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Public Member Functions | List of all members
rxdock::neldermead::Simplex< DataType, ParameterType, Function, Criterion > Class Template Reference

#include <NMSimplex.h>

Public Member Functions

 Simplex (const Criterion &criterion)
 
void Optimize (Function &fun)
 
const ParameterType & GetBestParameters () const
 
DataType GetBestValue () const
 
void SetStartPoint (const ParameterType &point)
 
void SetDelta (DataType delta)
 
void SetDelta (ParameterType deltas)
 

Detailed Description

template<class DataType, class ParameterType, class Function, class Criterion>
class rxdock::neldermead::Simplex< DataType, ParameterType, Function, Criterion >

The Nelder-Mead Simplex algorithm Complies to a simple and standard interface

Parameters
DataTypeis the type of inner values to consider
ParameterTypeis the type of ParameterType (Eigen if possible)
Functionis the type of Function to optimize
Criterionis the type of the stopping Criterion

Member Function Documentation

◆ GetBestParameters()

template<class DataType , class ParameterType , class Function , class Criterion >
const ParameterType & rxdock::neldermead::Simplex< DataType, ParameterType, Function, Criterion >::GetBestParameters ( ) const
inline

Retrieves the best parameters

◆ GetBestValue()

template<class DataType , class ParameterType , class Function , class Criterion >
DataType rxdock::neldermead::Simplex< DataType, ParameterType, Function, Criterion >::GetBestValue ( ) const
inline

Retrieves the best final value


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