ENM::SpringFunction Class Reference

Interface for ENM spring functions. More...

#include <spring_functions.hpp>

Inheritance diagram for ENM::SpringFunction:

Public Types
typedef std::vector< double >	Params

Public Member Functions
virtual std::string	name () const =0
	Name for this particular spring function.
virtual Params	setParams (const Params &konst)=0
	Sets the internal constants, returning the unused ones.
virtual bool	validParams () const =0
	Determines if the internal constants are "valid".
virtual uint	paramSize () const =0
	How many internal constants there are.
virtual loos::DoubleMatrix	constant (const loos::GCoord &u, const loos::GCoord &v, const loos::GCoord &d)=0
	Actually compute the spring constant as a 3x3 matrix.

Protected Member Functions
double	checkConstant (double d)
	Check for negative spring-constants.

Detailed Description

Interface for ENM spring functions.

These classes define the various possible spring functions used in creating the Hessian. All derived from the SpringFunction base class. This class returns a 3x3 DoubleMatrix containing the spring constants...

The SpringFunction::constant() function takes the coords of the two nodes plus their difference vector (since it'll almost always be computed prior to calling SpringFunction, no sense in recomputing it).

=Misc notes=

setParams() takes a vector of doubles that represents the internal "constants" for the spring functions. It treats the vector as a LIFO stack and picks off the ones it neds, returning the rest.

Member Function Documentation

checkConstant()

double ENM::SpringFunction::checkConstant ( double d )

inlineprotected

Check for negative spring-constants.

Issues a one-time warning if a negative spring constant is found

constant()

virtual loos::DoubleMatrix ENM::SpringFunction::constant ( const loos::GCoord & u, const loos::GCoord & v, const loos::GCoord & d )

pure virtual

Actually compute the spring constant as a 3x3 matrix.

Implemented in ENM::UniformSpringFunction.

name()

virtual std::string ENM::SpringFunction::name ( ) const

pure virtual

Name for this particular spring function.

Implemented in ENM::DistanceCutoff, ENM::DistanceWeight, ENM::ExponentialDistance, ENM::HCA, and ENM::ConstBonded.

paramSize()

virtual uint ENM::SpringFunction::paramSize ( ) const

pure virtual

How many internal constants there are.

Implemented in ENM::DistanceCutoff, ENM::DistanceWeight, ENM::ExponentialDistance, ENM::HCA, and ENM::ConstBonded.

setParams()

virtual Params ENM::SpringFunction::setParams ( const Params & konst )

pure virtual

Sets the internal constants, returning the unused ones.

Implemented in ENM::DistanceCutoff, ENM::DistanceWeight, ENM::ExponentialDistance, ENM::HCA, and ENM::ConstBonded.

validParams()

virtual bool ENM::SpringFunction::validParams ( ) const

pure virtual

Determines if the internal constants are "valid".

Implemented in ENM::DistanceCutoff, ENM::DistanceWeight, ENM::ExponentialDistance, ENM::HCA, and ENM::ConstBonded.

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

• Packages/ElasticNetworks/spring_functions.hpp