View source: R/functional_group.R
build_functional_group | R Documentation |
Uses the weights found in :param:P
to construct the effective functional
groups and updates functional group parameters in P.
build_functional_group(P)
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. |
A FunctionalGroup object composed of a linear combination of the four groups FG_A, FG_B, FG_C and FG_D.
FunctionalGroup
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)
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