TrialSelectParticle

class TrialSelectParticle : public feasst::TrialSelect

Select a random particle for trial.

Subclassed by feasst::SelectCrankshaftSmall, feasst::SelectSegment

Public Functions

bool load_coordinates() const

Return true if loading coordinates into selection.

int site() const

Return site.

int random_particle(const Configuration &config, const Select *exclude, Select *select, Random *random)

Add random particle in group index to select. Return the number of particles to choose from.

param exclude:

Exclude from selection.

int random_particle(const Configuration &config, Select *select, Random *random)

Same as above, but no exclusions.

void ghost_particle(Configuration *config, const Select *exclude, Select *select)

Select a ghost particle.

param exclude:

Exclude from selection.

void ghost_particle(Configuration *config, Select *select)

Same as above, but no exclusions.

bool select(const Select &perturbed, System *system, Random *random)

Perform the selection as implemented in the derived class. Return false if the selection cannot be made. Otherwise, return true.

param perturbed:

Perturbed is included to allow chaining of selection based on previous.

void select_particle(const int particle_index, const Configuration &config)

Select a particular particle by index. Note that this index ignores ghost particles.

Arguments

  • load_coordinates: load the coordinates into the selection (default: true)

  • site: site index to select. If all sites, set to -1 (default).

  • ghost: select ghost particles (default: false).

  • exclude_perturbed: if true, exclude perturbed particle (default: false)

  • min_particles: do not select if less than min number of particles. If -1, no constraint (default: -1). Note that this is the number of particles before the Trial.

  • max_particles: do not select if more than max number of particles. If -1, no constraint (default: -1). Note that this is the number of particles before the Trial.

  • TrialSelect arguments.