R Under development (unstable) (2024-09-04 r87094 ucrt) -- "Unsuffered Consequences"
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> # R CMD BATCH --no-timing --no-restore --no-save unit_test.R unit_test.Rout
> 
> # Get rid of anything in the workspace:
> rm(list=ls()) 
> 
> library(httk)
> #
> # MW BPA is 228.29 g/mol
> # 1 mg/L -> 1/228.29*1000 = 4.38 uM
> convert_units("mg/L","uM",chem.cas="80-05-7")
[1] 4.38
> #
> # MW Diclofenac is 296.148 g/mol
> # 1 uM -> 296.148/1000 =  0.296
> convert_units("uM","mg/L",chem.name="diclofenac")
[1] 0.2962
> 
> #
> # Compare with 
> #   https://www.eurofinsus.com/environment-testing/services/air-and-vapor/unit-conversion-calculator/
> # STP assumes 24.45 = (25?C and 1 atm)
> # 1 ug/L Toluene -> 0.26539 ppmv
> convert_units("ug/L","ppmv",
+                 chem.name="toluene",
+                 state="gas")
[1] 0.2655
> #
> # 1 ppmv Toluene -> 0.0038 mg/L
> convert_units("ppmv","mg/L",
+               chem.name="toluene",
+               state="gas")
[1] 0.003766
> # 1 ug/L Styrene ->  0.23478 ppmv
> convert_units("ug/L","ppmv",
+                 chem.name="styrene",
+                 state="gas")
[1] 0.2348
>                 
> # Test that convert_solve_x doesn't throw any errors:
> head(solve_gas_pbtk(chem.name="bisphenol a",
+                     times=c(0,0.1,0.05),
+                     output.units=setNames("mg/m3","Cendexhppmv"),
+                     method = "lsode",
+                     mf = 10, 
+                     rtol=1e-7,
+                     atol=1e-7))
            output.unit conversion.factor
Cendexhppmv       mg/m3             9.332
AUC is area under the plasma concentration curve in uM*days units with Rblood2plasma = 0.795.
The model outputs are provided in the following units:
	uM: Cgut, Cliver, Cven, Clung, Cart, Crest, Ckidney, Cplasma, Cmuc
	ppmv: Calvppmv, Cmixexhppmv
	mg/m3: Cendexhppmv
	umol: Atubules, Ametabolized
	uM*days: AUC

      time      Cgut    Cliver      Cven     Clung     Cart     Crest  Ckidney
[1,] 0e+00 0.0000000 0.0000000 0.0000000 0.0000000 0.000000 0.0000000 0.000000
[2,] 1e-04 0.0004556 0.0000776 0.0000018 0.0001213 0.005812 0.0000224 0.001836
[3,] 5e-02 0.6995000 0.7266000 0.0259000 0.3303000 0.048560 0.1135000 1.147000
[4,] 1e-01 0.9994000 1.1760000 0.0432600 0.5201000 0.066370 0.2477000 1.588000
       Cplasma Calvppmv Cendexhppmv Cmixexhppmv     Cmuc  Atubules Ametabolized
[1,] 0.0000000    0e+00   0.0000000      0.3000    0.000 0.0000000       0.0000
[2,] 0.0000023    0e+00   0.0001616      0.3000    3.733 0.0000017       0.0000
[3,] 0.0325800    2e-07   0.0740800      0.3056 1841.000 0.0102300       0.1622
[4,] 0.0544300    2e-07   0.1456000      0.3109 3634.000 0.0261300       0.5917
           AUC
[1,] 0.0000000
[2,] 0.0000000
[3,] 0.0009357
[4,] 0.0031250
Warning messages:
1: In get_clint(dtxsid = dtxsid, chem.name = chem.name, chem.cas = chem.cas,  :
  Clint is provided as a distribution.
2: In apply_clint_adjustment(Clint.point, Fu_hep = Fu_hep, suppress.messages = suppress.messages) :
  Clint adjusted for in vitro partitioning (Kilford, 2008), see calc_hep_fu.
3: In parameterize_gas_pbtk(chem.cas = "80-05-7", chem.name = "bisphenol a",  :
  Funbound.plasma adjusted for in vitro partitioning (Pearce, 2017). Set adjusted.Funbound.plasma to FALSE to use original value.
4: In parameterize_gas_pbtk(chem.cas = "80-05-7", chem.name = "bisphenol a",  :
  Cannot calculate saturable metabolism with Vmax = 0. Defaulting to first-order metabolic clearance.
5: In get_caco2(chem.cas = chem.cas, chem.name = chem.name, dtxsid = dtxsid,  :
  Default value of 1.6 used for Caco2 permeability.
> 
> # Quit without saving or displaying messages:
> quit("no")
> proc.time()
   user  system elapsed 
   4.00    0.34    4.37