crease_ga.shapes.vesicle

class crease_ga.shapes.vesicle.scatterer_generator.scatterer_generator(shape_params=[24, 54, 0.5, 50.4, 50.4, 0.55, 7], minvalu=(50, 30, 30, 30, 0.1, 0.0, 0.1), maxvalu=(400, 200, 200, 200, 0.45, 0.45, 4))

The wrapper class for vesicle shape. Default length unit: Angstrom.

See also

crease_ga.Model.load_shape

Notes

The following 7 shape-specific descriptors are to be specified by user (see *Attributes*) as a list, in the precise order as listed, while calling `Model.load_shape` to load this shape:

num_scatterers:

Number of scatterers used to represent a chain. Default: 24

N:

Number of monomers in a chain. Default: 54

eta_B:

Packing fraction of scatterers in B layer. Default: 0.5

lmono_b:

Diameter of a monomer of chemistry B. Default: 50.4 A

lmono_a:

Diameter of a monomer of chemistry A. Default: 50.4 A

fb:

Fraction of monomers in chain that are of B type. fa = 1-fb. Default: 0.55

nLP:

Number of replicates for each individual. Default: 7

The following 7 parameters are to be predicted, in the precise order as listed, by GA:

R_core:

Core radius. Default [min,max]: [50 A, 400 A]

t_Ain:

Thickness of inner A layer. Default [min,max]: [30 A, 200 A]

t_B:

Thickness of B layer. Default [min,max]: [30 A, 200 A]

t_Aout:

Thickness of outer A layer. Default [min,max]: [30 A, 200 A]

sigma_Ain:

Split of solvophilic scatterers between inner and outer layers. Default [min,max]: [0.1, 0.45]

sigma_R:

Dispersity in vesicle size as implemented in the core radius. Default [min,max]: [0.0, 0.45]

log10(bg):

Negative log10 of background intensity. E.g. an background intensity of 0.001 leads to this value being 3. Default [min,max]: [0.1,4]

converttoIQ(qrange, param)

Calculate computed scattering intensity profile.

Parameters:

qrange: numpy.array

q values.

param: numpy.array

Decoded input parameters. See Notes section of the class documentation.

Returns:

IQid: A numpy array holding I(q).