iqspr (version 2.3)

get_targetzone: get a targeted zone

Description

Get a temporary targeted space of properties (a.k.a physico-chemical properties here) to populate. This space can be on the path to reach the final desired target, or the final targeted space by itself. This depends on how the temporary targeted space fits the population of observables constrains delimited by the parameters min.points and max.points described below.

Usage

get_targetzone(targ.min = c(50, 9), targ.max = c(200, 11), feat = NULL,
  min.points = 100, max.points = 150)

Arguments

targ.min

is a d-dimensional vector of minimum values delimiting the targeted space, where d is the number of properties.

targ.max

is a d-dimensional vector of maximum values delimiting the targeted space, where d is the number of properties.

feat

is a n rows x d columns matrix, where d and n are the number of properties and datapoints respectively.

min.points

minimum number of points required in the targeted space of properties.

max.points

maximum number of points required in the targeted space of properties.

Value

the boundaries of a targeted zone.

Examples

# NOT RUN {
data(qspr.data)
ty <- as.matrix(qspr.data[,c(2,5)])
targ.zone <- get_targetzone(targ.min=c(50,9),targ.max=c(200,11),
                             feat=ty,
                             min.points=100,max.points=150)
# }
# NOT RUN {
# }