IMP::misc::WormLikeChain Class Reference

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Detailed Description

Worm-like-chain energy for polymer chains.

This function implements one polymer force/extension curve. It is a physical energy and all the inputs are in angstroms and the outputs in kcal/mol (/angstrom).

Note:

The actual worm like chain force blows up as the extension approaches the maximum. Since that makes optimization problematic, we just linearly extend the force after 99% of maximum.

Inheritance diagram for IMP::misc::WormLikeChain:

List of all members.

Public Member Functions
	WormLikeChain (Float l_max, Float lp)
	Define the energy term.
Public Member Functions inherited from IMP::UnaryFunction
virtual double	evaluate (double feature) const
	Calculate score with respect to the given feature.
virtual DerivativePair	evaluate_with_derivative (double feature) const
	Calculate score and derivative with respect to the given feature.
Public Member Functions inherited from IMP::base::Object
std::size_t	__hash__ () const
virtual std::string	get_type_name () const =0
	Return a string identifying the type of the object.
virtual IMP::base::VersionInfo	get_version_info () const =0
	Get information about the module and version of the object.
void	set_check_level (CheckLevel l)
void	set_log_level (LogLevel l)
	Set the logging level used in this object.
void	set_was_used (bool tf) const
void	show (std::ostream &out=std::cout) const
const std::string &	get_name () const
void	set_name (std::string name)

Static Public Member Functions
static WormLikeChain *	get_from (IMP::base::Object *o)

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Constructor & Destructor Documentation

IMP::misc::WormLikeChain::WormLikeChain	(	Float	l_max,
		Float	lp
	)

Define the energy term.

Parameters:

[in]	l_max	maximum length of the chain in angstroms
[in]	lp	persistence length in angstroms

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

• WormLikeChain.h