calc_mc_css with httkpop=FALSE, invitrouv=FALSE

[cm16120]

Just reporting this in case the change in behaviour is not intended.

calc_mc_css(chem.cas = "xxxx", output.units = "uM", model = "3compartmentss", species = "Human", httkpop=FALSE, invitrouv=FALSE)
calc_analytic_css(chem.cas = "xxxx", output.units = "uM", model = "3compartmentss", species = "Human")

In HTTK 2.2.1, both of the above used adjusted Fup and Clint and gave the same outcome.

In HTTK 2.2.2, calc_mc_css appears to use unadjusted Fup and Clint and no longer gives the same outcome as calc_analytic_css (which continues to use adjusted Fup and Clint).

[jfwambaugh]

Cool bug. cm16120 is right on the money... my variant of the example is:

a <- calc_mc_css(
  chem.cas = "80-05-7", 
  output.units = "uM", 
  model = "3compartmentss", 
  species = "Human", 
  httkpop=FALSE, 
  invitrouv=FALSE, 
  return.samples=TRUE)
b <- calc_analytic_css(
  chem.cas = "80-05-7", 
  output.units = "uM", 
  model = "3compartmentss", 
  species = "Human")
par <- parameterize_steadystate(chem.cas="80-05-7")
d <- calc_mc_css(
  parameters=par, 
  output.units = "uM", 
  model = "3compartmentss", 
  species = "Human", 
  httkpop=FALSE, 
  invitrouv=FALSE, 
  return.samples=TRUE)

the values in a differ from b and d. However, d has the expected behavior (that is, it is a bunch of replicates of b).

[jfwambaugh]

We partially addressed this in 2.3.0, but there is still an issue where create_mc_samples can't handle parameters=list (as in, the values you get from parameterize_steadystate). We're working on that now.