IMP logo

IMP::atom::AngleSingletonScore Class Reference


Detailed Description

Score the angle based on a UnaryFunction,.

This scores the angle using information stored in its Angle decorator. The score is based on the difference between the stored ideal angle and the actual angle and scaled by the stiffness. That is stiffness * (angle-ideal_value). The difference is in radians between -pi and +pi; it is the shortest distance from one angle to the other.

See also:
CHARMMParameters::generate_angles(), Angle.
Inheritance diagram for IMP::atom::AngleSingletonScore:

Inheritance graph
[legend]

Public Member Functions

 AngleSingletonScore (UnaryFunction *f)
 Use f to penalize deviations in angle.
ContainersTemp get_input_containers (Particle *) const
ParticlesTemp get_input_particles (Particle *) const
ParticlesList get_interacting_particles (Particle *) const
bool get_is_changed (Particle *p) const
 IMP_SINGLETON_SCORE_BASE (AngleSingletonScore)

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

Generated on Mon Mar 8 23:08:48 2010 for IMP by doxygen 1.5.8