Interface for all ENMs. More...

#include <enm-lib.hpp>

Inheritance diagram for ENM::ElasticNetworkModel:

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Collaboration diagram for ENM::ElasticNetworkModel:

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Public Member Functions
	ElasticNetworkModel (SuperBlock *blocker)
	Base constructor for all ENMs.

void	setSuperBlockFunction (SuperBlock *p)

virtual void	solve ()=0
	Computes the hessian and solves for the eigenpairs.

void	prefix (const std::string &s)
	Filename prefix when we have to write something out.

std::string	prefix () const

void	meta (const std::string &s)
	Any metadata that gets added to matrices written out.

std::string	meta () const

void	debugging (const bool b)
	Debugging flag (generally means write out all intermediate matrices)

bool	debugging () const

void	verbosity (const int i)
	How wordy are we?

int	verbosity () const

SpringFunction::Params	setParams (const SpringFunction::Params &v)
	Forwards to contained superblock.

bool	validParams () const
	Forwards to contained superblock.

uint	paramSize () const
	Forwards to contained superblock.

const loos::DoubleMatrix &	eigenvectors () const
	Accessors for eigenpairs and hessian.

const loos::DoubleMatrix &	eigenvalues () const
	Accessors for eigenpairs and hessian.

const loos::DoubleMatrix &	hessian () const
	Accessors for eigenpairs and hessian.

Protected Member Functions
void	buildHessian ()
	Construct the hessian using the contained SuperBlock.

Protected Attributes
SuperBlock *	blocker_

std::string	name_

std::string	prefix_

std::string	meta_

bool	debugging_

int	verbosity_

loos::DoubleMatrix	eigenvecs_

loos::DoubleMatrix	eigenvals_

loos::DoubleMatrix	hessian_

Detailed Description

Interface for all ENMs.

Constructor & Destructor Documentation

◆ ElasticNetworkModel()

ENM::ElasticNetworkModel::ElasticNetworkModel ( SuperBlock * blocker )

inline

Base constructor for all ENMs.

The blocker arg determines how the hessian is actually constructed, i.e. what nodes are used and how the spring function between them is calculated.

Member Function Documentation

◆ buildHessian()

void ENM::ElasticNetworkModel::buildHessian ( )

protected

Construct the hessian using the contained SuperBlock.

It is not expected that subclasses will want to override this... Uses the contained SuperBlock to build a hessian

◆ solve()

virtual void ENM::ElasticNetworkModel::solve ( )

pure virtual

Computes the hessian and solves for the eigenpairs.

Implemented in ENM::ANM, and ENM::VSA.

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

Packages/ElasticNetworks/enm-lib.hpp
Packages/ElasticNetworks/enm-lib.cpp

Public Member Functions