IMP Reference Guide
develop.4390929e3e,2024/11/11
The Integrative Modeling Platform
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#include <IMP/npctransport/functor_linear_distance_pair_scores_typedefs.h>
A soft linear attractive / repulsive score between two spheres. The score is 0 if the spheres are beyond the attractive range. Within the attractive range, the score decreases linearly (= attraction) with slope k_attr_ until the spheres touch. Once the spheres begin to penetrate each other, the score rises linearly with slope k_rep_ (= repulsion), though it may be negative for small penetration.
Definition at line 37 of file functor_linear_distance_pair_scores_typedefs.h.
Public Member Functions | |
LinearInteraction (double krep, double attr_range, double kattr) | |
template<unsigned int D> | |
bool | get_is_trivially_zero (Model *, const Array< D, ParticleIndex > &, double squared_distance) const |
template<unsigned int D> | |
double | get_maximum_range (Model *, const Array< D, ParticleIndex > &) const |
template<unsigned int D> | |
double | get_score (Model *m, const Array< D, ParticleIndex > &pp, double distance) const |
template<unsigned int D> | |
DerivativePair | get_score_and_derivative (Model *m, const Array< D, ParticleIndex > &p, double distance) const |
void | show (std::ostream &out=std::cout) const |
Public Member Functions inherited from IMP::score_functor::LinearLowerBound | |
LinearLowerBound (double k) | |
template<unsigned int D> | |
bool | get_is_trivially_zero (Model *, const Array< D, ParticleIndex > &, double squared_distance) const |
float | get_k () const |
template<unsigned int D> | |
double | get_maximum_range (Model *, const Array< D, ParticleIndex > &) const |
template<unsigned int D> | |
double | get_score (Model *, const Array< D, ParticleIndex > &, double distance) const |
template<unsigned int D> | |
DerivativePair | get_score_and_derivative (Model *, const Array< D, ParticleIndex > &, double distance) const |
Public Member Functions inherited from IMP::score_functor::Score | |
ModelObjectsTemp | get_inputs (Model *m, const ParticleIndexes &pis) const |
template<unsigned int D> | |
bool | get_is_trivially_zero (Model *m, const Array< D, ParticleIndex > &p, double squared_distance) const |
template<unsigned int D> | |
double | get_maximum_range (Model *m, const Array< D, ParticleIndex > &p) const |
template<unsigned int D> | |
double | get_score (Model *m, const Array< D, ParticleIndex > &p, double distance) const |
Return the score at the passed feature size (eg distance). More... | |
template<unsigned int D> | |
DerivativePair | get_score_and_derivative (Model *m, const Array< D, ParticleIndex > &p, double distance) const |
Return the score and derivative at the passed feature size (eg distance). More... | |
void | show (std::ostream &) const |