chemreac.util.grid

Grid related utilities for one dimensional grid of arbitrary spacing.

chemreac.util.grid.padded_centers(x, nsidep)

Parameters:

x: sequence

strictly monotonically increasing sequence of positions of bin separators.

nsidep: integer

number of padding bins: (nstencil-1)/2

chemreac.util.grid.pxci_to_bi(nstencil, N)

Generates a translation list converting x center indicesex starting at 0, which includes padding bins and into bin indices.

Parameters:

nstencil: integer

Number of stencil points used

N: integer

Number of bins

Returns:

list of bin indices.

chemreac.util.grid.stencil_pxci_lbounds(nstencil, N, lrefl=False, rrefl=False)

Generates a list of lower bounds in padded centers for each bin index for use in fintie difference scheme.

Parameters:

nstencil: int

Number of stencil points used

N: int

Number of bins

lrefl, rrefl: bool

left and right reflective boundaries