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IMP Reference Guide
develop.169ea894ba,2025/11/01
The Integrative Modeling Platform
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A well with harmonic barriers. More...
#include <IMP/core/HarmonicWell.h>
Inheritance diagram for IMP::core::HarmonicWell: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 override |
| Calculate score with respect to the given feature. More... | |
| virtual DerivativePair | evaluate_with_derivative (double feature) const override |
| Calculate score and derivative with respect to the given feature. More... | |
| virtual std::string | get_type_name () const override |
| virtual ::IMP::VersionInfo | get_version_info () const override |
| Get information about the module and version of the object. More... | |
| Public Member Functions inherited from IMP::UnaryFunction | |
| UnaryFunction (std::string name="UnaryFunction%1%") | |
| Public Member Functions inherited from IMP::Object | |
| virtual void | clear_caches () |
| CheckLevel | get_check_level () const |
| def | get_derived_object |
| Return this object cast to the most derived subclass. More... | |
| 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::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.
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overridevirtual |
Calculate score with respect to the given feature.
| [in] | feature | Value of feature being tested. |
Reimplemented from IMP::UnaryFunction.
Definition at line 57 of file HarmonicWell.h.
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overridevirtual |
Calculate score and derivative with respect to the given feature.
| [in] | feature | Value of feature being tested. |
Reimplemented from IMP::UnaryFunction.
Definition at line 52 of file HarmonicWell.h.
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overridevirtual |
Get information about the module and version of the object.
Reimplemented from IMP::Object.
Definition at line 61 of file HarmonicWell.h.