Chemical Data Processing Library C++ API - Version 1.2.0
Public Types | Public Member Functions | List of all members
CDPL::GRAIL::BindingAffinityCalculator Class Reference

BindingAffinityCalculator. More...

#include <BindingAffinityCalculator.hpp>

Public Types

enum  AffinityMeasure {
  PKD ,
  PKI ,
  PKD_PKI
}
 

Public Member Functions

 BindingAffinityCalculator ()
 
double operator() (const Math::DVector &grail_descr, AffinityMeasure measure) const
 

Detailed Description

BindingAffinityCalculator.

Member Enumeration Documentation

◆ AffinityMeasure

Enumerator
PKD 
PKI 
PKD_PKI 

Constructor & Destructor Documentation

◆ BindingAffinityCalculator()

CDPL::GRAIL::BindingAffinityCalculator::BindingAffinityCalculator ( )
inline

Member Function Documentation

◆ operator()()

double CDPL::GRAIL::BindingAffinityCalculator::operator() ( const Math::DVector grail_descr,
AffinityMeasure  measure 
) const

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