BALL  1.4.79
Public Types | List of all members
BALL::EmpiricalHSShiftProcessor::ShiftHyperSurface_ Class Reference

#include <BALL/NMR/empiricalHSShiftProcessor.h>

Public Types

typedef std::map< String, std::map< String, float > > tabletype
 

Enums and Constants

enum  HYPERSURFACE__TYPE {
  REAL__REAL, REAL__DISCRETE, DISCRETE__REAL, DISCRETE__DISCRETE,
  CHI__REAL, REAL__CHI, CHI__DISCRETE, DISCRETE__CHI,
  CHI__CHI, SINGLE__REAL, SINGLE__DISCRETE, SINGLE__CHI
}
 
 ShiftHyperSurface_ (int verbosity=EmpiricalHSShiftProcessor::VERBOSITY_LEVEL_CRITICAL)
 
 ShiftHyperSurface_ (String filename, String atomtype, String firstproperty, String secondproperty, int verbosity=EmpiricalHSShiftProcessor::VERBOSITY_LEVEL_CRITICAL) throw (Exception::FileNotFound)
 
virtual ~ShiftHyperSurface_ ()
 
float operator() (PropertiesForShift_ &properties)
 
bool isvalid ()
 
float getTotalAverage ()
 

Detailed Description

Definition at line 282 of file empiricalHSShiftProcessor.h.

Member Typedef Documentation

Definition at line 285 of file empiricalHSShiftProcessor.h.