log10_P is the same for all compounds

[Aariq]

It looks like somewhere between 7113b862118c61143564494bf5b4cf8f9a26fbef and fbb2ce1c1011f6e41f507312a5650e0b57421487 I introduced a bug that makes the log10_P of all compounds the same.

Minimal reproducible example

library(volcalc)

calc_vol(c("C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)O",  "C(CC(=O)O)C(=O)O"),
         from = "smiles", return_fx_groups = TRUE, return_calc_steps = TRUE) |> 
  dplyr::pull(log10_P)
#> [1] -10.2004 -10.2004

calc_vol(mol_example(), return_calc_steps = TRUE) |> dplyr::pull(log10_P) 
#> [1] -30.218 -30.218 -30.218 -30.218 -30.218

^{Created on 2023-12-01 with reprex v2.0.2}