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ObjCryst::ZMoveMinimizer Class Reference

Class to minimize conformation changes for random moves. Very experimental !!! More...

#include <ZScatterer.h>

Inheritance diagram for ObjCryst::ZMoveMinimizer::

ObjCryst::RefinableObj List of all members.

Public Methods

 ZMoveMinimizer (ZScatterer &scatt)
 ~ZMoveMinimizer ()
virtual unsigned int GetNbCostFunction () const
 Number of Cost functions.

virtual const string & GetCostFunctionName (const unsigned int) const
 Get a Cost function name from its id#.

virtual const string & GetCostFunctionDescription (const unsigned int) const
 Get the (short) description of a cost function.

virtual REAL GetCostFunctionValue (const unsigned int)
 Get the current value of a cost function this should be const...

void RecordConformation ()
void SetZAtomWeight (const CrystVector_REAL weight)
void MinimizeChange (long nbTrial=10000)

Private Attributes

ZScatterermpZScatt
MonteCarloObj mOptimObj
CrystVector_REAL mXCoord0
CrystVector_REAL mYCoord0
CrystVector_REAL mZCoord0
CrystVector_REAL mAtomWeight

Detailed Description

Class to minimize conformation changes for random moves. Very experimental !!!

For internal use only.

Only used within ZScatterer.


The documentation for this class was generated from the following file:
Generated on Tue Feb 5 17:37:33 2002 for ObjCryst++ by doxygen1.2.13.1 written by Dimitri van Heesch, © 1997-2001