BALL  1.4.1
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Public Member Functions | Protected Attributes
BALL::ForceFieldEvaluation Class Reference

#include <BALL/STRUCTURE/DOCKING/forceFieldEvaluation.h>

Inheritance diagram for BALL::ForceFieldEvaluation:
BALL::EnergeticEvaluation BALL::AmberEvaluation

List of all members.

Public Member Functions

 ForceFieldEvaluation ()
 Default constructor.
 ForceFieldEvaluation (ForceField &ff)
virtual ~ForceFieldEvaluation ()
void setForceField (ForceField &ff)
void setOptions (const Options &options)
ForceFieldgetForceField ()
const ForceFieldgetForceField () const
OptionsgetOptions ()
const OptionsgetOptions () const
virtual std::vector
< ConformationSet::Conformation
operator() (ConformationSet &conformations) throw (Exception::TooManyErrors)

Protected Attributes

ForceFieldff_
Options options_
bool delete_force_field_

Detailed Description

Base class for energetic evaluators of docking results using a force field as scoring function.

Definition at line 21 of file forceFieldEvaluation.h.


Constructor & Destructor Documentation

Default constructor.


Member Function Documentation

Reimplemented in BALL::AmberEvaluation.

Reimplemented in BALL::AmberEvaluation.

Reimplemented in BALL::AmberEvaluation.

Reimplemented in BALL::AmberEvaluation.

virtual std::vector<ConformationSet::Conformation> BALL::ForceFieldEvaluation::operator() ( ConformationSet conformations) throw (Exception::TooManyErrors) [virtual]

Operations

Reimplemented from BALL::EnergeticEvaluation.

Operations

Reimplemented in BALL::AmberEvaluation.

Reimplemented in BALL::AmberEvaluation.


Member Data Documentation

Definition at line 71 of file forceFieldEvaluation.h.

Definition at line 69 of file forceFieldEvaluation.h.

Definition at line 70 of file forceFieldEvaluation.h.

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