rings Namespace Reference

Functions
BooleanOptionKey const	rings ("rings")
BooleanOptionKey const	lock_rings ("rings:lock_rings")
BooleanOptionKey const	idealize_rings ("rings:idealize_rings")
BooleanOptionKey const	sample_high_energy_conformers ("rings:sample_high_energy_conformers")

Function Documentation

BooleanOptionKey const rings::idealize_rings

(

"rings:idealize_rings"

)

BooleanOptionKey const rings::lock_rings

(

"rings:lock_rings"

)

BooleanOptionKey const rings::rings

(

"rings"

)

BooleanOptionKey const rings::sample_high_energy_conformers

(

"rings:sample_high_energy_conformers"

)