growR (version 1.3.0)

build_functional_group: Build the effective functional group as a weighted linear combination.

Description

Uses the weights found in :param:P to construct the effective functional groups and updates functional group parameters in P.

Usage

build_functional_group(P)

Value

A FunctionalGroup object composed of a linear combination of the four groups FG_A, FG_B, FG_C and FG_D.

Arguments

P

list; name-value pairs of parameters. Should contain at least one non-zero functional group weight w_FGX with X in (A, B, C, D). Any weights not present are assumed to be 0.

See Also

FunctionalGroup

Examples

parameters = list(w_FGA = 0.5, w_FGB = 0.5)
build_functional_group(parameters)

# The w_FGX weights in the input are interpreted as relative to each other.
# Thus, they do not need to satisfy the sum rule. The following is 
# equivalent to the previous example:
parameters = list(w_FGA = 1, w_FGB = 1)
build_functional_group(parameters)