From 7233eed00b799e08c31ae971f997b4b3c14eaea2 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Mon, 19 Jun 2017 20:10:21 +0200 Subject: Single line of generated Step12 input file partially validated --- man/PEC_sw_focus.Rd | 33 ++++++++++++++++++++++++--------- man/chent_focus_sw.Rd | 14 +++++++++++--- 2 files changed, 35 insertions(+), 12 deletions(-) (limited to 'man') diff --git a/man/PEC_sw_focus.Rd b/man/PEC_sw_focus.Rd index a5628d7..e9f638d 100644 --- a/man/PEC_sw_focus.Rd +++ b/man/PEC_sw_focus.Rd @@ -2,11 +2,13 @@ % Please edit documentation in R/PEC_sw_focus.R \name{PEC_sw_focus} \alias{PEC_sw_focus} -\title{Calculate FOCUS Step 1 PEC surface water} +\title{Calculate PEC surface water at FOCUS Step 1} \usage{ -PEC_sw_focus(parent, rate, n = 1, i = NA, met = NULL, f_drift = NA, - f_rd = 0.1, scenario = FOCUS_Step_12_scenarios$names, - txt_file = "pesticide.txt", overwrite = FALSE, append = TRUE) +PEC_sw_focus(parent, rate, n = 1, i = NA, comment = "", met = NULL, + f_drift = NA, f_rd = 0.1, scenario = FOCUS_Step_12_scenarios$names, + region = c("n", "s"), season = c(NA, "of", "mm", "js"), + interception = "no interception", txt_file = "pesticide.txt", + overwrite = FALSE, append = TRUE) } \arguments{ \item{parent}{A list containing substance specific parameters, e.g. @@ -19,6 +21,8 @@ applications are given explicitly} \item{i}{The application interval} +\item{comment}{A comment for the input file} + \item{met}{A list containing metabolite specific parameters. e.g. conveniently generated by \code{\link{chent_focus_sw}}. If not NULL, the PEC is calculated for this compound, not the parent.} @@ -35,6 +39,15 @@ parent or a metabolite} \item{scenario}{The name of the scenario. Must be one of the scenario names given in \code{\link{FOCUS_Step_12_scenarios}}} +\item{region}{'n' for Northern Europe or 's' for Southern Europe. If NA, only +Step 1 PECsw are calculated} + +\item{season}{'of' for October to February, 'mm' for March to May, and 'js' +for June to September. If NA, only step 1 PECsw are calculated} + +\item{interception}{One of 'no interception' (default), 'minimal crop cover', +'average crop cover' or 'full canopy'} + \item{txt_file}{the name, and potentially the full path to the Steps.12 input text file to which the specification of the run(s) should be written} @@ -45,11 +58,13 @@ should be written} \item{append}{Should the input text file be appended?} } \description{ -This is reimplementation of Step 1 of the FOCUS Step 1 and 2 calculator -version 3.2, authored by Michael Klein. Note that results for multiple +This is reimplementation of the FOCUS Step 1 and 2 calculator version 3.2, +authored by Michael Klein, in R. Note that results for multiple applications should be compared to the corresponding results for a single application. At current, this is not done automatically in -this implementation. +this implementation. Only Step 1 PECs are calculated. However, +input files are generated that are suitable as input also for Step 2 +to be used with the FOCUS calculator. } \note{ The formulas for input to the waterbody via runoff/drainage of the @@ -63,11 +78,11 @@ Step 2 is not implemented. } \examples{ # Parent only -dummy_1 <- chent_focus_sw(cwsat = 6000, DT50_ws = 6, Koc = 344.8) +dummy_1 <- chent_focus_sw("Dummy 1", cwsat = 6000, DT50_ws = 6, Koc = 344.8) PEC_sw_focus(dummy_1, 3000, f_drift = 0) # Metabolite -new_dummy <- chent_focus_sw(mw = 250, Koc = 100) +new_dummy <- chent_focus_sw("New Dummy", mw = 250, Koc = 100) M1 <- chent_focus_sw(mw = 100, cwsat = 100, DT50_ws = 100, Koc = 50, max_ws = 0, max_soil = 0.5) PEC_sw_focus(new_dummy, 1000, scenario = "cereals, winter", met = M1) } diff --git a/man/chent_focus_sw.Rd b/man/chent_focus_sw.Rd index 945c343..8df01ab 100644 --- a/man/chent_focus_sw.Rd +++ b/man/chent_focus_sw.Rd @@ -4,18 +4,26 @@ \alias{chent_focus_sw} \title{Create a chemical compound object for FOCUS Step 1 calculations} \usage{ -chent_focus_sw(Koc, DT50_ws = NA, cwsat = 1000, mw = NA, max_soil = 1, - max_ws = 1) +chent_focus_sw(name, Koc, DT50_ws = NA, DT50_soil = NA, DT50_water = NA, + DT50_sediment = NA, cwsat = 1000, mw = NA, max_soil = 1, max_ws = 1) } \arguments{ +\item{name}{Length one character vector containing the name} + \item{Koc}{Partition coefficient between organic carbon and water in L/kg.} \item{DT50_ws}{Half-life in water/sediment systems in days} +\item{DT50_soil}{Half-life in soil in days} + +\item{DT50_water}{Half-life in water in days (Step 2)} + +\item{DT50_sediment}{Half-life in sediment in days (Step 2)} + \item{cwsat}{Water solubility in mg/L} -\item{mw}{Molar weight in g/mol} +\item{mw}{Molar weight in g/mol.} \item{max_soil}{Maximum observed fraction (dimensionless) in soil} -- cgit v1.2.1