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:

[legend]

Public Member Functions
virtual double	evaluate (double feature) const
virtual DerivativePair	evaluate_with_derivative (double feature) const
virtual std::string	get_type_name () const
virtual ::IMP::VersionInfo	get_version_info () const
	WormLikeChain (Float l_max, Float lp)
	Define the energy term.
Friends
template<class T >
void	IMP::internal::unref (T *)

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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 files:

• WormLikeChain.h
• misc/__init__.py