PerturbDistance

class PerturbDistance : public feasst::PerturbMove

Put first site in selection in a sphere about the first site in anchor. For bond potentials, the equilibrium length and spring constant are as described in Random::bond_length Currently implemented for harmonic bonds (exponent: 2), but could add an optional exponent model parameter to generalize this.

Subclassed by feasst::PerturbDistanceAngle, feasst::PerturbReptate

Public Functions

void precompute(TrialSelect *select, System *system)

Compute and store the distance from the bond_length property in select. Also store the spring constant.

double distance() const

Return the equilibrium distance.

double spring_constant() const

Return the spring constant. If -1, the bond length is rigid.

double random_distance(Random *random, const double beta, const int dimension) const

Return the randomly selected distance from the bond potential.

Parameters
  • dimension: inverse temperature

void move(System *system, TrialSelect *select, Random *random)

Move the selection of the system.