diff options
Diffstat (limited to 'R/chent.R')
| -rw-r--r-- | R/chent.R | 6 |
1 files changed, 3 insertions, 3 deletions
@@ -219,10 +219,10 @@ chent <- R6Class("chent", #' @description #' Get chemical information from RDKit if available get_rdkit = function(template = NULL) { - + if (!rdkit_available) stop("RDKit is not available") if (is.null(self$smiles)) stop("RDKit would need a SMILES code") - + available_smiles <- names(self$smiles) smiles_preference <- c("user", "PubChem", "PubChem_Connectivity") smiles_preferred_i <- min(match(available_smiles, smiles_preference)) @@ -492,7 +492,7 @@ chent <- R6Class("chent", #' @param N The Freundlich exponent #' @param perc_clay The percentage of clay in the soil #' @param CEC The cation exchange capacity - add_soil_sorption = function(soils, + add_soil_sorption = function(soils, Kf, Kfoc, N, type = NA, pH_orig = NA, pH_medium = NA, pH_H2O = NA, |