IMP
2.4.0
The Integrative Modeling Platform
|
A well with harmonic barriers. More...
#include <IMP/core/HarmonicWell.h>
A well with harmonic barriers.
The well is defined by a center, a width and a k. The score is 0 if the feature is within the width/2.0. Outside of the width the score is a harmonic.
Definition at line 25 of file HarmonicWell.h.
Public Member Functions | |
HarmonicWell (const FloatRange &well, double k) | |
Initialize with the lower and upper bounds and the spring constant. More... | |
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... | |
virtual std::string | get_type_name () const |
virtual ::IMP::base::VersionInfo | get_version_info () const |
Get information about the module and version of the object. 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 () |
CheckLevel | get_check_level () const |
LogLevel | get_log_level () const |
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... | |
virtual void | do_destroy () |
IMP::core::HarmonicWell::HarmonicWell | ( | const FloatRange & | well, |
double | k | ||
) |
Initialize with the lower and upper bounds and the spring constant.
Definition at line 45 of file HarmonicWell.h.
|
virtual |
Calculate score with respect to the given feature.
[in] | feature | Value of feature being tested. |
Reimplemented from IMP::kernel::UnaryFunction.
Definition at line 56 of file HarmonicWell.h.
|
virtual |
Calculate score and derivative with respect to the given feature.
[in] | feature | Value of feature being tested. |
Reimplemented from IMP::kernel::UnaryFunction.
Definition at line 52 of file HarmonicWell.h.
|
virtual |
Get information about the module and version of the object.
Reimplemented from IMP::base::Object.
Definition at line 58 of file HarmonicWell.h.