POptimize Class Reference

#include <POptimize.h>

List of all members.

Public Member Functions
	POptimize (vector< PProtein * > loops, vector< vector< CDof > > Dofs)
OptimalSol	OptimizeNullSpace (FunctFunctor *FunctToOptimize)
OptimalSol	Optimize (FunctFunctor *FunctToOptimize, DerivFunctor *DerivOfFunct)
OptimalSol	OptimizeNullSpace (FunctFunctor *FunctToOptimize, vector< double > InitC)
OptimalSol	Optimize (FunctFunctor *FunctToOptimize, DerivFunctor *DerivOfFunct, vector< double > InitC)

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Constructor & Destructor Documentation

POptimize::POptimize	(	vector< PProtein * >	loops,
		vector< vector< CDof > >	Dofs
	)

Constructs a new POptimize with specified loops and Dofs of the loops. The optimization will be carried over the Dofs of the loops.

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Member Function Documentation

OptimalSol POptimize::OptimizeNullSpace

(

FunctFunctor *

FunctToOptimize

)

Returns OptimalSol corresponding to loops after optimizing specified functor FunctToOptimize. Numerical derivatives are calculated and projected on to the null space.

OptimalSol POptimize::Optimize	(	FunctFunctor *	FunctToOptimize,
		DerivFunctor *	DerivOfFunct
	)

Returns OptimalSol corresponding to loops after optimizing specified functor FunctToOptimize with specified derivative functor DerviOfFunct.

OptimalSol POptimize::OptimizeNullSpace	(	FunctFunctor *	FunctToOptimize,
		vector< double >	InitC
	)

Returns OptimalSol corresponding to loops after optimizing specified functor FunctToOptimize. Numerical derivatives are calculated and projected on to the null space.In this method, one can specify the initial values of the non-DOF variables in InitC.

OptimalSol POptimize::Optimize	(	FunctFunctor *	FunctToOptimize,
		DerivFunctor *	DerivOfFunct,
		vector< double >	InitC
	)

Returns OptimalSol corresponding to loops after optimizing specified functor FunctToOptimize with specified derivative functor DerviOfFunct.In this method, one can specify the initial values of the non-DOF variables in InitC.

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

• src/core/POptimize.h
• src/core/POptimize.cc

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