Main Page   Class Hierarchy   Compound List   File List   Compound Members  

FractionOfFragmentToKeep Class Reference

#include <FractionOfFragmentToKeep.h>

List of all members.

Public Methods

virtual ~FractionOfFragmentToKeep ()
 FractionOfFragmentToKeep (float p_initial_fraction_to_keep)
float operator() (float p_fraction_good_hit)
void setInitialFractionGoodHit (float p_fraction)
void setInitialFractionToKeep (float p_fraction)
void setTargetedGoodness (float p_targeted_goodness)
float getTargetedGoodness (void) const
float getInitialFractionToKeep (void) const


Detailed Description

Function object that determines the fraction of Fragment to eliminate.


Constructor & Destructor Documentation

virtual FractionOfFragmentToKeep::~FractionOfFragmentToKeep (    )  [inline, virtual]
 

Default destructor.

FractionOfFragmentToKeep::FractionOfFragmentToKeep (  float    p_initial_fraction_to_keep ) 
 

Constructor.

Parameters:
p_initial_fraction_to_keep  This is K0, the initial fraction of Fragment to keep in Libraries.


Member Function Documentation

float FractionOfFragmentToKeep::getInitialFractionToKeep (  void    )  const
 

Return the initial fraction of Fragment to keep in Library K0.

float FractionOfFragmentToKeep::getTargetedGoodness (  void    )  const
 

Return the objective goodness as a fraction.

float FractionOfFragmentToKeep::operator() (  float    p_fraction_good_hit ) 
 

Given the initialization is done correctly, this will return the fraction_of_fragment_to_keep (Ki) for the ith iteration, that is the iteration with a goodness of p_fraction_good_hit. It uses a linear interpolation as described in "Truchon and Bayly, JCIM Vol. 46, pages 1536-1548 (2006)".

void FractionOfFragmentToKeep::setInitialFractionGoodHit (  float    p_fraction ) 
 

Set the initial goodness (G0).

Parameters:
p_fraction  Is a fraction: 0.1 means 10%.

void FractionOfFragmentToKeep::setInitialFractionToKeep (  float    p_fraction ) 
 

Set the initial fraction to keep (K0).

Parameters:
p_fraction  Is a fraction: 0.1 means 10%.

void FractionOfFragmentToKeep::setTargetedGoodness (  float    p_targeted_goodness ) 
 

Set the targeted goodness (Gt).

Parameters:
p_targeted_goodness  Is a fraction: 0.1 means 10%.


The documentation for this class was generated from the following file:
Generated on Sat Nov 4 15:58:59 2006 for GLARE by doxygen1.2.18