TrialSelectDihedral

class TrialSelectDihedral : public feasst::TrialSelectAngle

A random particle of given type is selected if previously perturbed sites are not available. Select a single dihedral from three given anchor sites and one mobile site. The mobile site is directly bonded to the first anchor site, the second anchor site is bonded to first anchor, and the third anchor is bonded to the second.

anchor3(“l”) - anchor2(“k”) - anchor(“j”) - mobile(“i”)

See Position::torsion_angle_radians for more information.

Public Functions

TrialSelectDihedral(argtype args = argtype())

args:

  • anchor_site3 : index of third anchor site.

void precompute(System *system)

Same as TrialSelectAngle, but also add the third anchor site, and add dihedral_type as an anchor property.