cgexplore.systems_optimisation

systems_optimisation package.

Classes

Chromosome	Define the genes and properties of a chromosome.
ChromosomeGenerator	Hold all information for chromosome iteration.
FitnessCalculator
Generation	Define the chromosomes in a single generation.
StructureCalculator

Functions

define_angle	Define target from a known structured list.
define_bond	Define target from a known structured list.
define_cosine_angle	Define target from a known structured list.
define_lennardjones	Define target from a known structured list.
define_nonbonded	Define target from a known structured list.
define_pyramid_angle	Define target from a known structured list.
define_torsion	Define target from a known structured list.
element_from_type	Get element of cgbead from type of cgbead.
get_forcefield_from_dict	Get forcefield from a definer dict.
get_neighbour_library
merge_definer_dicts	Merge multiple definer dicts, overring the original.
yield_near_models	Yield structures of models with neighbouring force field parameters.