IMP::atom::CoulombPairScore Class Reference

Detailed Description

Coulomb (electrostatic) score between a pair of particles.

The two particles in the pair must be Charged particles. The form of the potential is

$\frac{1}{4\pi\epsilon_0\epsilon_r} \frac{q_i q_j}{|r_{ij}|}$

where $\epsilon_0$ is the permittivity of vacuum, $\epsilon_r$ the relative dielectric (adjustable; 1.0 by default), $q_i$ and $q_j$ the charges on the two particles, and $|r_{ij}|$ the distance between them.

Inheritance diagram for IMP::atom::CoulombPairScore:

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Public Member Functions
	CoulombPairScore (SmoothingFunction *f)
ContainersTemp	get_input_containers (const ParticlePair &p) const
ParticlesTemp	get_input_particles (const ParticlePair &p) const
ParticlesList	get_interacting_particles (const ParticlePair &p) const
bool	get_is_changed (const ParticlePair &p) const
double	get_relative_dielectric () const
	IMP_PAIR_SCORE_BASE (CoulombPairScore)
void	set_relative_dielectric (double relative_dielectric)

The documentation for this class was generated from the following files:

CoulombPairScore.h
atom/__init__.py

IMP::atom::CoulombPairScore Class Reference

Detailed Description

Public Member Functions