DRWN-1503 non replicate support

[certara-jcraig]

To support cases where simulated data is not a replicate of the observed data. [#64]

• Add optional repl argument in simulated.tidyvpcobj to identify replicate column in simulated data
• Add data.sim argument in stratify.tidyvpcobj to identify strata in simulated data
• Change existing non-replicate error checks to warnings
• Both binning() and binless() are supported

Example usage:

library(data.table)
library(tidyvpc)
library(magrittr)

# Can additionally toggle tidyvpc package specific verbosity
options("tidyvpc.verbose" = TRUE)

obs <- tidyvpc::obs_data[MDV==0]
sim <- tidyvpc::sim_data[MDV==0]
sim$GENDER <- rep(obs$GENDER, nrow(sim) / nrow(obs))

sim_rich <- sim[, {
  ntime_seq <- seq(from = min(TIME),
                   to   = max(TIME),
                   by   = 0.01)
  dv_interp <- approx(x = TIME, y = DV, xout = ntime_seq)$y
    data.table(TIME = ntime_seq,
             DV    = dv_interp,
             GENDER = GENDER[1])
}, by = .(ID, REP)]


vpc <- observed(obs, x = TIME, yobs = DV) %>%
  simulated(sim,
            ysim = DV) %>%
  binning(bin = "jenks", nbins = 5) %>%
  vpcstats()

plot(vpc)

vpc_non_rep <-
  observed(obs, x = TIME, yobs = DV) %>%
  simulated(sim_rich,
            xsim = TIME,
            ysim = DV,
            repl = REP) %>%
  binning(bin = "jenks", nbins = 5) %>%
  vpcstats()

plot(vpc_non_rep)

vpc_non_rep_strat <-
  observed(obs, x = TIME, yobs = DV) %>%
  simulated(sim_rich,
            xsim = TIME,
            ysim = DV,
            repl = REP) %>%
  stratify(~ GENDER, data.sim = sim_rich) %>% #specify data.sim arg 
  binning(bin = "jenks", nbins = 5) %>%
  vpcstats()

plot(vpc_non_rep_strat)