Chirality2D

class Chirality2D : public feasst::Analyze

Compute the 2D chirality by analyzing the sign of the cross product between two bonds.

Public Functions

Chirality2D(const argtype &args = argtype())

args:

  • group: group index in Configuration (default: 0).

  • bond1: index of the first bond (default: 0).

  • bond2: index of the second bond (default: 1).

  • sign_error: error if chirality of sign and != 0 (default 0).

std::string header(const Criteria &criteria, const System &system, const TrialFactory &trials) const

Return the header for writing.

void initialize(Criteria *criteria, System *system, TrialFactory *trial_factory)

Initialize and precompute before trials.

void update(const Criteria &criteria, const System &system, const TrialFactory &trial_factory)

Perform update action.

std::string write(const Criteria &criteria, const System &system, const TrialFactory &trial_factory)

Perform write action.

const Accumulator &num_positive() const

Return the average number of chiral positive particles.