IMP
2.0.1
The Integrative Modeling Platform
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Worm-like-chain energy for polymer chains. More...
#include <IMP/misc/WormLikeChain.h>
Public Member Functions | |
WormLikeChain (Float l_max, Float lp) | |
Define the energy term. More... | |
void | do_show (std::ostream &out) const |
virtual double | evaluate (double feature) const |
Calculate score with respect to the given feature. More... | |
virtual DerivativePair | evaluate_with_derivative (double feature) const |
Calculate score and derivative with respect to the given feature. More... | |
Public Member Functions inherited from IMP::kernel::UnaryFunction | |
UnaryFunction (std::string name="UnaryFunction%1%") | |
Public Member Functions inherited from IMP::base::Object | |
virtual void | clear_caches () |
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. More... | |
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) |
Additional Inherited Members | |
Protected Member Functions inherited from IMP::base::Object | |
Object (std::string name) | |
Construct an object with the given name. More... | |
Related Functions inherited from IMP::kernel::UnaryFunction | |
typedef IMP::base::Vector < IMP::base::WeakPointer < UnaryFunction > > | UnaryFunctionsTemp |
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).
Definition at line 27 of file WormLikeChain.h.
[in] | l_max | maximum length of the chain in angstroms |
[in] | lp | persistence length in angstroms |
Definition at line 34 of file WormLikeChain.h.
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virtual |
[in] | feature | Value of feature being tested. |
Reimplemented from IMP::kernel::UnaryFunction.
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virtual |
[in] | feature | Value of feature being tested. |
Reimplemented from IMP::kernel::UnaryFunction.