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ArithmeticPathCV::ArithmeticPathBase Class Template Reference

#include <colvar_arithmeticpath.h>

List of all members.

Public Methods
	ArithmeticPathBase ()
virtual	~ArithmeticPathBase ()
virtual void	initialize (size_t p_num_elements, size_t p_total_frames, double p_lambda, const vector< element_type > &p_element, const vector< double > &p_weights)
virtual void	updateDistanceToReferenceFrames ()=0
virtual void	computeValue ()
virtual void	computeDerivatives ()
virtual void	compute ()
virtual void	reComputeLambda (const vector< scalar_type > &rmsd_between_refs)
Protected Attributes
scalar_type	lambda
vector< scalar_type >	weights
size_t	num_elements
size_t	total_frames
vector< vector< element_type > >	frame_element_distances
scalar_type	s
scalar_type	z
vector< element_type >	dsdx
vector< element_type >	dzdx

template<typename element_type, typename scalar_type, path_sz path_type>
class ArithmeticPathCV::ArithmeticPathBase< element_type, scalar_type, path_type >

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Constructor & Destructor Documentation

template<typename element_type, typename scalar_type, path_sz path_type> ArithmeticPathCV::ArithmeticPathBase< element_type, scalar_type, path_type >::ArithmeticPathBase (    )  [inline]

Definition at line 20 of file colvar_arithmeticpath.h.

template<typename element_type, typename scalar_type, path_sz path_type> virtual ArithmeticPathCV::ArithmeticPathBase< element_type, scalar_type, path_type >::~ArithmeticPathBase (    )  [inline, virtual]

Definition at line 21 of file colvar_arithmeticpath.h.

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Member Function Documentation

template<typename element_type, typename scalar_type, path_sz path_type> void ArithmeticPathCV::ArithmeticPathBase< element_type, scalar_type, path_type >::compute (    )  [virtual]

Definition at line 97 of file colvar_arithmeticpath.h. References computeDerivatives, and computeValue.

template<typename element_type, typename scalar_type, path_sz path_type> void ArithmeticPathCV::ArithmeticPathBase< element_type, scalar_type, path_type >::computeDerivatives (    )  [virtual]

Definition at line 103 of file colvar_arithmeticpath.h. References dsdx, dzdx, frame_element_distances, lambda, num_elements, and weights. Referenced by compute.

template<typename element_type, typename scalar_type, path_sz path_type> void ArithmeticPathCV::ArithmeticPathBase< element_type, scalar_type, path_type >::computeValue (    )  [virtual]

Definition at line 71 of file colvar_arithmeticpath.h. References colvarmodule::exp, frame_element_distances, lambda, colvarmodule::logn, num_elements, s, updateDistanceToReferenceFrames, weights, and z. Referenced by compute.

template<typename element_type, typename scalar_type, path_sz path_type> void ArithmeticPathCV::ArithmeticPathBase< element_type, scalar_type, path_type >::initialize (  size_t    p_num_elements, size_t    p_total_frames, double    p_lambda, const vector< element_type > &    p_element, const vector< double > &    p_weights )  [virtual]

Definition at line 48 of file colvar_arithmeticpath.h. References dsdx, dzdx, frame_element_distances, lambda, num_elements, s, total_frames, weights, and z.

template<typename element_type, typename scalar_type, path_sz path_type> void ArithmeticPathCV::ArithmeticPathBase< element_type, scalar_type, path_type >::reComputeLambda (  const vector< scalar_type > &    rmsd_between_refs )  [virtual]

Definition at line 129 of file colvar_arithmeticpath.h. References lambda, colvarmodule::log, and total_frames.

template<typename element_type, typename scalar_type, path_sz path_type> virtual void ArithmeticPathCV::ArithmeticPathBase< element_type, scalar_type, path_type >::updateDistanceToReferenceFrames (    )  [pure virtual]

Referenced by computeValue.

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Member Data Documentation

template<typename element_type, typename scalar_type, path_sz path_type> vector<element_type> ArithmeticPathCV::ArithmeticPathBase::dsdx [protected]

Definition at line 36 of file colvar_arithmeticpath.h. Referenced by computeDerivatives, and initialize.

template<typename element_type, typename scalar_type, path_sz path_type> vector<element_type> ArithmeticPathCV::ArithmeticPathBase::dzdx [protected]

Definition at line 37 of file colvar_arithmeticpath.h. Referenced by computeDerivatives, and initialize.

template<typename element_type, typename scalar_type, path_sz path_type> vector< vector<element_type> > ArithmeticPathCV::ArithmeticPathBase::frame_element_distances [protected]

Definition at line 33 of file colvar_arithmeticpath.h. Referenced by computeDerivatives, computeValue, and initialize.

template<typename element_type, typename scalar_type, path_sz path_type> scalar_type ArithmeticPathCV::ArithmeticPathBase::lambda [protected]

Definition at line 29 of file colvar_arithmeticpath.h. Referenced by computeDerivatives, computeValue, initialize, and reComputeLambda.

template<typename element_type, typename scalar_type, path_sz path_type> size_t ArithmeticPathCV::ArithmeticPathBase::num_elements [protected]

Definition at line 31 of file colvar_arithmeticpath.h. Referenced by computeDerivatives, computeValue, and initialize.

template<typename element_type, typename scalar_type, path_sz path_type> scalar_type ArithmeticPathCV::ArithmeticPathBase::s [protected]

Definition at line 34 of file colvar_arithmeticpath.h. Referenced by computeValue, and initialize.

template<typename element_type, typename scalar_type, path_sz path_type> size_t ArithmeticPathCV::ArithmeticPathBase::total_frames [protected]

Definition at line 32 of file colvar_arithmeticpath.h. Referenced by initialize, and reComputeLambda.

template<typename element_type, typename scalar_type, path_sz path_type> vector<scalar_type> ArithmeticPathCV::ArithmeticPathBase::weights [protected]

Definition at line 30 of file colvar_arithmeticpath.h. Referenced by computeDerivatives, computeValue, and initialize.

template<typename element_type, typename scalar_type, path_sz path_type> scalar_type ArithmeticPathCV::ArithmeticPathBase::z [protected]

Definition at line 35 of file colvar_arithmeticpath.h. Referenced by computeValue, and initialize.

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

• colvar_arithmeticpath.h

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