diff --git a/R/Makefile b/R/Makefile index ca4ed9e1..43b91bb6 100644 --- a/R/Makefile +++ b/R/Makefile @@ -226,13 +226,13 @@ XSRC = \ $(IDEST)/Makevars DATA = \ - $(DATADIR)/csv.RData \ - $(DATADIR)/databases.RData \ - $(DATADIR)/examples.RData + $(DATADIR)/csv.rda \ + $(DATADIR)/databases.rda \ + $(DATADIR)/examples.rda all: $(PSRC) $(XSRC) $(DATA) $(MAN)/phreeqc-package.Rd -$(DATADIR)/databases.RData : $(DBS) build-databases.R +$(DATADIR)/databases.rda : $(DBS) build-databases.R R --no-save --no-restore CMD BATCH build-databases.R %.ascii : $(DBDIR)/%.dat diff --git a/R/build-csv.R b/R/build-csv.R index 4f209fb3..a076139e 100644 --- a/R/build-csv.R +++ b/R/build-csv.R @@ -1,4 +1,4 @@ # SE_to_export_03142014.csv CO2.df <- read.csv("SE_to_export_03142014.csv") -save(list = ls(all=TRUE), file="phreeqc/data/csv.RData") +save(list = ls(all=TRUE), file="phreeqc/data/csv.rda") rm(list = ls(all=TRUE)) diff --git a/R/build-databases.R b/R/build-databases.R index 6f3f4c24..162932ea 100644 --- a/R/build-databases.R +++ b/R/build-databases.R @@ -18,5 +18,6 @@ pitzer.dat <- scan("pitzer.ascii", what="", sep="\n") sit.dat <- scan("sit.ascii", what="", sep="\n") phreeqc.dat <- scan("phreeqc.ascii", what="", sep="\n") wateq4f.dat <- scan("wateq4f.ascii", what="", sep="\n") -save(list = ls(all=TRUE), file="phreeqc/data/databases.RData") -rm(list = ls(all=TRUE)) +##save(list = ls(all=TRUE), file="phreeqc/data/databases.RData") +save(list = ls(all = TRUE), compress = "xz", file = "phreeqc/data/databases.rda") +rm(list = ls(all = TRUE)) diff --git a/R/build-examples.R b/R/build-examples.R index 86b72749..ac53ada3 100644 --- a/R/build-examples.R +++ b/R/build-examples.R @@ -19,5 +19,5 @@ ex6 <- scan("../phreeqc3-examples/ex6", what="", sep="\n") ex7 <- scan("../phreeqc3-examples/ex7", what="", sep="\n") ex8 <- scan("../phreeqc3-examples/ex8", what="", sep="\n") ex9 <- scan("../phreeqc3-examples/ex9", what="", sep="\n") -save(list = ls(all=TRUE), file="phreeqc/data/examples.RData") +save(list = ls(all=TRUE), file="phreeqc/data/examples.rda") rm(list = ls(all=TRUE)) diff --git a/R/phreeqc/DESCRIPTION b/R/phreeqc/DESCRIPTION index 3fbcb934..4e99d492 100644 --- a/R/phreeqc/DESCRIPTION +++ b/R/phreeqc/DESCRIPTION @@ -3,8 +3,7 @@ Version: 1.0.0 Title: R interface to the phreeqc geochemical modeling program License: Unlimited NeedsCompilation: yes -Depends: - methods +Depends: R (>= 2.10) Author: David Parkhurst and C.A.J. Appelo URL: http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc diff --git a/R/phreeqc/R/phreeqc.R b/R/phreeqc/R/phreeqc.R index fcb012f8..cb2fcdd5 100644 --- a/R/phreeqc/R/phreeqc.R +++ b/R/phreeqc/R/phreeqc.R @@ -5,8 +5,7 @@ ##' Geochemical Calculations. ##' ##' \tabular{ll}{ Package: \tab phreeqc\cr Type: \tab Package\cr Version: \tab -##' 1.0\cr Date: \tab 2014-02-05\cr License: \tab Unlimited\cr } ~~ An overview -##' of how to use the package, including the most important functions ~~ +##' 1.0\cr Date: \tab 2014-02-05\cr License: \tab Unlimited\cr } ##' ##' @name phreeqc-package ##' @aliases phreeqc-package phreeqc @@ -36,9 +35,9 @@ ##' title <- "Gypsum-Anhydrite Stability" ##' xlabel <- "Temperature, in degrees celcius" ##' ylabel <- "Saturation index" -##' plot(temp.C., si_gypsum, main=title, xlab=xlabel, ylab=ylabel, -##' col="darkred", xlim=c(25, 75), ylim=c(-0.4, 0.0)) -##' points(temp.C., si_anhydrite, col="darkgreen") +##' plot(temp.C., si_gypsum, main = title, xlab = xlabel, ylab = ylabel, +##' col = "darkred", xlim = c(25, 75), ylim = c(-0.4, 0.0)) +##' points(temp.C., si_anhydrite, col = "darkgreen") ##' legend("bottomright", c("Gypsum", "Anhydrite"), ##' col = c("darkred", "darkgreen"), pch = c(1, 1)) ##' @@ -81,7 +80,9 @@ ##' # CO2.df <- read.csv("SE_to_export_03142014.csv") ##' ##' # pull out pertinent data out of df and into solns -##' solns <- data.frame("soln" = CO2.df[,1], "Temp" = CO2.df[,2], "pH" = CO2.df[,3], "alkalinity" = CO2.df[,21], "syringe_CO2" = CO2.df[,7]) +##' solns <- data.frame("soln" = CO2.df[,1], "Temp" = CO2.df[,2], +##' "pH" = CO2.df[,3], "alkalinity" = CO2.df[,21], +##' "syringe_CO2" = CO2.df[,7]) ##' ##' # create input (as a character vector) ##' input <- vector() @@ -112,7 +113,7 @@ NULL -##' Accumlulate line(s) for input to phreeqc. +##' Accumulate line(s) for input to phreeqc. ##' ##' Appends a line of text to the input buffer in order to be run using ##' \code{\link{phrRunAccumulated}}. @@ -145,13 +146,12 @@ NULL ##' phrAccumulateLine("END") ##' phrSetOutputFileOn(TRUE) ##' if (is.null(phrRunAccumulated())) { -##' cat(paste("see ", phrGetOutputFileName(), ".\n", sep="")) +##' cat(paste("see ", phrGetOutputFileName(), ".\n", sep = "")) ##' } ##' -phrAccumulateLine = -function(line) -{ - invisible(.Call("accumLineLst", as.character(line), PACKAGE=.packageName)) +phrAccumulateLine <- +function(line) { + invisible(.Call("accumLineLst", as.character(line), PACKAGE = .packageName)) } @@ -172,14 +172,13 @@ function(line) ##' # the results. ##' phrAccumulateLine("SOLUTION 1") ##' phrAccumulateLine("END") -##' cat("The accumulated input is:", phrGetAccumulatedLines(), sep="\n") +##' cat("The accumulated input is:", phrGetAccumulatedLines(), sep = "\n") ##' phrClearAccumulatedLines() -##' cat("The accumulated input now is:\n", phrGetAccumulatedLines(), sep="\n") +##' cat("The accumulated input now is:\n", phrGetAccumulatedLines(), sep = "\n") ##' -phrClearAccumulatedLines = -function() -{ - invisible(.Call("clearAccum", PACKAGE=.packageName)) +phrClearAccumulatedLines <- +function() { + invisible(.Call("clearAccum", PACKAGE = .packageName)) } @@ -198,12 +197,11 @@ function() ##' # This example loads some keyword input and displays the contents. ##' phrAccumulateLine("SOLUTION 1") ##' phrAccumulateLine("END") -##' cat("The accumulated input is:", phrGetAccumulatedLines(), sep="\n") +##' cat("The accumulated input is:", phrGetAccumulatedLines(), sep = "\n") ##' -phrGetAccumulatedLines = -function() -{ - return(.Call("getAccumLines", PACKAGE=.packageName)) +phrGetAccumulatedLines <- +function() { + return(.Call("getAccumLines", PACKAGE = .packageName)) } @@ -224,10 +222,9 @@ function() ##' cat(comp, "\n") ##' } ##' -phrGetComponentList = -function() -{ - return(.Call("listComps", PACKAGE=.packageName)) +phrGetComponentList <- +function() { + return(.Call("listComps", PACKAGE = .packageName)) } @@ -257,15 +254,14 @@ function() ##' input <- paste(input, " -equilibrium_phases 1\n") ##' ##' if (!is.null(phrRunString(input))) { -##' cat(phrGetErrorStrings()) +##' cat(phrGetErrorStrings()) ##' } ##' cat(paste("see ", phrGetDumpFileName(), ".")) ##' ##' -phrGetDumpFileName = -function() -{ - return(.Call("getDumpFileName", PACKAGE=.packageName)) +phrGetDumpFileName <- +function() { + return(.Call("getDumpFileName", PACKAGE = .packageName)) } @@ -278,7 +274,7 @@ function() ##' @export phrGetDumpStrings ##' @useDynLib phreeqc ##' @return The dump output as a character vector. -##' @seealso \code{\link{phrGetDumpFileName}}, \code{\link{phrGetDumpFileOn}}, \code{\link{phrGetDumpStringOn}}, \code{\link{phrSetDumpFileName}}, \code{\link{phrSetDumpFileOn}}, \code{\link{phrSetDumpStringsOn}} +##' @seealso \code{\link{phrGetDumpFileName}}, \code{\link{phrGetDumpFileOn}}, \code{\link{phrGetDumpStringsOn}}, \code{\link{phrSetDumpFileName}}, \code{\link{phrSetDumpFileOn}}, \code{\link{phrSetDumpStringsOn}} ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' @examples ##' @@ -295,14 +291,13 @@ function() ##' input <- paste(input, " -equilibrium_phases 1 \n") ##' ##' if (!is.null(phrRunString(input))) { -##' cat(phrGetErrorStrings(), sep="\n") +##' cat(phrGetErrorStrings(), sep = "\n") ##' } -##' cat(phrGetDumpStrings(), sep="\n") +##' cat(phrGetDumpStrings(), sep = "\n") ##' -phrGetDumpStrings = -function() -{ - return(.Call("getDumpStrings", PACKAGE=.packageName)) +phrGetDumpStrings <- +function() { + return(.Call("getDumpStrings", PACKAGE = .packageName)) } @@ -318,21 +313,10 @@ function() ##' @return The name of the error file as a string. ##' @seealso \code{\link{phrGetErrorFileOn}}, \code{\link{phrGetErrorStrings}}, \code{\link{phrGetErrorStringsOn}}, \code{\link{phrSetErrorFileName}}, \code{\link{phrSetErrorFileOn}}, \code{\link{phrSetErrorStringsOn}} ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} -##' @examples ##' -##' # This example attempts to run ex1, fails, and displays the -##' ##-- ==> Define data, use random, -##' ##-- or do help(data=index) for the standard data sets. -##' -##' ## The function is currently defined as -##' function () -##' { -##' } -##' -phrGetErrorFileName = -function() -{ - return(.Call("getErrorFileName", PACKAGE=.packageName)) +phrGetErrorFileName <- +function() { + return(.Call("getErrorFileName", PACKAGE = .packageName)) } @@ -342,13 +326,12 @@ function() ##' @export phrGetDumpFileOn ##' @useDynLib phreeqc ##' @return TRUE if errors are currently being written to file. -##' @seealso \code{\link{phrGetDumpFileName}}, \code{\link{phrGetDumpFileOn}}, \code{\link{phrGetDumpStrings}}, +##' @seealso \code{\link{phrGetDumpFileName}}, \code{\link{phrGetDumpStrings}}, \code{\link{phrGetDumpStringsOn}} ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' -phrGetDumpFileOn = -function() -{ - return(.Call("getDumpFileOn", PACKAGE=.packageName)) +phrGetDumpFileOn <- +function() { + return(.Call("getDumpFileOn", PACKAGE = .packageName)) } @@ -358,13 +341,12 @@ function() ##' @export phrGetDumpStringsOn ##' @useDynLib phreeqc ##' @return TRUE if errors are currently being written to file. -##' @seealso \code{\link{phrGetDumpStringName}}, \code{\link{phrGetDumpStringsOn}}, \code{\link{phrGetDumpStrings}}, +##' @seealso \code{\link{phrGetDumpFileName}}, \code{\link{phrGetDumpFileOn}}, \code{\link{phrGetDumpStrings}} ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' -phrGetDumpStringsOn = -function() -{ - return(.Call("getDumpStringOn", PACKAGE=.packageName)) +phrGetDumpStringsOn <- +function() { + return(.Call("getDumpStringOn", PACKAGE = .packageName)) } @@ -377,10 +359,9 @@ function() ##' @seealso \code{\link{phrGetErrorFileName}}, \code{\link{phrGetErrorFileOn}}, \code{\link{phrGetErrorStrings}}, ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' -phrGetErrorFileOn = -function() -{ - return(.Call("getErrorFileOn", PACKAGE=.packageName)) +phrGetErrorFileOn <- +function() { + return(.Call("getErrorFileOn", PACKAGE = .packageName)) } @@ -390,13 +371,12 @@ function() ##' @export phrGetErrorStringsOn ##' @useDynLib phreeqc ##' @return TRUE if errors are currently being written to file. -##' @seealso \code{\link{phrGetErrorStringsName}}, \code{\link{phrGetErrorStringsOn}}, \code{\link{phrGetErrorStrings}}, +##' @seealso \code{\link{phrGetErrorFileName}}, \code{\link{phrGetErrorFileOn}}, \code{\link{phrGetErrorStrings}}, ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' -phrGetErrorStringsOn = -function() -{ - return(.Call("getErrorStringOn", PACKAGE=.packageName)) +phrGetErrorStringsOn <- +function() { + return(.Call("getErrorStringOn", PACKAGE = .packageName)) } @@ -409,10 +389,9 @@ function() ##' @seealso \code{\link{phrGetLogFileName}}, \code{\link{phrGetLogFileOn}}, \code{\link{phrGetLogStrings}}, ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' -phrGetLogFileOn = -function() -{ - return(.Call("getLogFileOn", PACKAGE=.packageName)) +phrGetLogFileOn <- +function() { + return(.Call("getLogFileOn", PACKAGE = .packageName)) } @@ -422,13 +401,12 @@ function() ##' @export phrGetLogStringsOn ##' @useDynLib phreeqc ##' @return TRUE if errors are currently being written to file. -##' @seealso \code{\link{phrGetLogStringsName}}, \code{\link{phrGetLogStringsOn}}, \code{\link{phrGetLogStrings}}, +##' @seealso \code{\link{phrGetLogFileName}}, \code{\link{phrGetLogFileOn}}, \code{\link{phrGetLogStrings}}, ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' -phrGetLogStringsOn = -function() -{ - return(.Call("getLogStringOn", PACKAGE=.packageName)) +phrGetLogStringsOn <- +function() { + return(.Call("getLogStringOn", PACKAGE = .packageName)) } @@ -438,13 +416,12 @@ function() ##' @export phrGetOutputFileOn ##' @useDynLib phreeqc ##' @return TRUE if errors are currently being written to file. -##' @seealso \code{\link{phrGetOutputFileName}}, \code{\link{phrGetOutputFileOn}}, \code{\link{phrGetOutputStrings}}, +##' @seealso \code{\link{phrGetOutputFileName}}, \code{\link{phrGetOutputStringsOn}}, \code{\link{phrGetOutputStrings}}, ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' -phrGetOutputFileOn = -function() -{ - return(.Call("getOutputFileOn", PACKAGE=.packageName)) +phrGetOutputFileOn <- +function() { + return(.Call("getOutputFileOn", PACKAGE = .packageName)) } @@ -454,13 +431,12 @@ function() ##' @export phrGetOutputStringsOn ##' @useDynLib phreeqc ##' @return TRUE if errors are currently being written to file. -##' @seealso \code{\link{phrGetOutputStringsName}}, \code{\link{phrGetOutputStringsOn}}, \code{\link{phrGetOutputStrings}}, +##' @seealso \code{\link{phrGetOutputFileName}}, \code{\link{phrGetOutputFileOn}}, \code{\link{phrGetOutputStrings}}, ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' -phrGetOutputStringsOn = -function() -{ - return(.Call("getOutputStringOn", PACKAGE=.packageName)) +phrGetOutputStringsOn <- +function() { + return(.Call("getOutputStringOn", PACKAGE = .packageName)) } @@ -470,21 +446,17 @@ function() ##' Returns a string containing any error messages that were generated ##' during the last invocation of the following methods: ##' \code{\link{phrAccumulateLine}}, \code{\link{phrLoadDatabase}}, -##' \code{\link{phrLoadDatabaseString}}, \code{\link{phrRunAccumulatedeadString}}, +##' \code{\link{phrLoadDatabaseString}}, \code{\link{phrRunAccumulated}}, ##' \code{\link{phrRunFile}}, \code{\link{phrRunString}} ##' ##' This routine is rarely needed when running interactively since the error ##' string is displayed when it occurs. ##' -##' @usage phrGetErrorStrings() -##' @return This function returns the errors that occured during the previous -##' phrReadDB, phrRun, phrRunFile call. -##' @seealso \code{\link{phrReadString}}, \code{\link{phrRun}}, -##' \code{\link{phrRunFile}}, \code{\link{phrGetSelectedOutput}} -##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} -##' @keywords interface +##' @export phrGetErrorStrings ##' @useDynLib phreeqc -##' @export +##' @return The error messages as a character vector. +##' @seealso \code{\link{phrGetErrorFileName}}, \code{\link{phrGetErrorFileOn}}, \code{\link{phrGetErrorStringsOn}}, \code{\link{phrSetErrorFileName}}, \code{\link{phrSetErrorFileOn}}, \code{\link{phrSetErrorStringsOn}} +##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' @examples ##' ##' # loaddatabase should fail @@ -492,115 +464,100 @@ function() ##' # if n is non-NULL display error string ##' if (!is.null(n)) phrGetErrorStrings() ##' -phrGetErrorStrings = -function() -{ - return(.Call("getErrorStrings", PACKAGE=.packageName)) +phrGetErrorStrings <- +function() { + return(.Call("getErrorStrings", PACKAGE = .packageName)) } -##' Retrieves the name of the log file. +##' Retrieve the name of the log file. ##' -##' %% ~~ A concise (1-5 lines) description of what the function does. ~~ +##' Retrieves the name of the log file. The default name is phreeqc.0.log. ##' -##' %% ~~ If necessary, more details than the description above ~~ -##' -##' @usage phrGetLogFileName() -##' @return %% ~Describe the value returned %% If it is a LIST, use %% -##' \item{comp1 }{Description of 'comp1'} %% \item{comp2 }{Description of -##' 'comp2'} %% ... -##' @note %% ~~further notes~~ -##' @seealso %% ~~objects to See Also as \code{\link{help}}, ~~~ -##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} -##' @keywords interface +##' @export phrGetLogFileName ##' @useDynLib phreeqc -##' @export +##' @return The name of the log file as a string. +##' @seealso \code{\link{phrGetLogFileOn}}, \code{\link{phrGetLogStrings}}, \code{\link{phrGetLogStringsOn}}, \code{\link{phrSetLogFileName}}, \code{\link{phrSetLogFileOn}}, \code{\link{phrSetLogStringsOn}} +##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' @examples +##' +##' # This example checks to see if the log file is turned on +##' # and prints the appropriate message +##' if (phrGetLogFileOn()) { +##' cat("The name of the log file (is/will be):", phrGetLogFileName(), "\n") +##' } else { +##' cat("The log file is not turned on\n") +##' } ##' -##' ##---- Should be DIRECTLY executable !! ---- -##' ##-- ==> Define data, use random, -##' ##-- or do help(data=index) for the standard data sets. -##' -##' ## The function is currently defined as -##' function () -##' { -##' } -##' -phrGetLogFileName = -function() -{ - return(.Call("getLogFileName", PACKAGE=.packageName)) +phrGetLogFileName <- +function() { + return(.Call("getLogFileName", PACKAGE = .packageName)) } +##' Retrieve log output. +##' ##' Retrieves the string buffer containing phreeqc log output. ##' -##' %% ~~ A concise (1-5 lines) description of what the function does. ~~ -##' -##' %% ~~ If necessary, more details than the description above ~~ -##' -##' @usage phrGetLogStrings() +##' @export phrGetLogStrings +##' @useDynLib phreeqc ##' @return %% ~Describe the value returned %% If it is a LIST, use %% -##' \item{comp1 }{Description of 'comp1'} %% \item{comp2 }{Description of -##' 'comp2'} %% ... -##' @note %% ~~further notes~~ ##' @seealso %% ~~objects to See Also as \code{\link{help}}, ~~~ ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} -##' @keywords interface -##' @useDynLib phreeqc -##' @export ##' @examples ##' -##' ##---- Should be DIRECTLY executable !! ---- -##' ##-- ==> Define data, use random, -##' ##-- or do help(data=index) for the standard data sets. +##' # This example equilibrates pure water with gypsum with the output file on. +##' phrLoadDatabaseString(phreeqc.dat) +##' phrSetOutputFileOn(TRUE) +##' +##' input <- vector(mode="character") +##' input <- c(input, "SOLUTION 1 Pure water ") +##' input <- c(input, "EQUILIBRIUM_PHASES 1 ") +##' input <- c(input, " Gypsum 0 10 ") +##' input <- c(input, "KNOBS ") +##' input <- c(input, " -logfile TRUE ") +##' +##' if (is.null(phrRunString(input))) { +##' log <- phrGetLogStrings() +##' } ##' -##' ## The function is currently defined as -##' function () -##' { -##' } -##' -phrGetLogStrings = -function() -{ - return(.Call("getLogStrings", PACKAGE=.packageName)) +phrGetLogStrings <- +function() { + return(.Call("getLogStrings", PACKAGE = .packageName)) } -##' Retrieves the name of the output file. +##' Retrieve the name of the output file. ##' -##' %% ~~ A concise (1-5 lines) description of what the function does. ~~ +##' Retrieves the name of the output file. The default name is phreeqc.0.out. ##' -##' %% ~~ If necessary, more details than the description above ~~ -##' -##' @usage phrGetOutputFileName() -##' @return %% ~Describe the value returned %% If it is a LIST, use %% -##' \item{comp1 }{Description of 'comp1'} %% \item{comp2 }{Description of -##' 'comp2'} %% ... -##' @note %% ~~further notes~~ -##' @seealso %% ~~objects to See Also as \code{\link{help}}, ~~~ -##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} -##' @keywords interface -##' @useDynLib phreeqc ##' @export +##' @useDynLib phreeqc +##' @return The name of the outputfile as a string. +##' @seealso \code{\link{phrGetOutputFileOn}}, \code{\link{phrGetOutputStrings}}, \code{\link{phrGetOutputStringsOn}}, \code{\link{phrSetOutputFileName}}, \code{\link{phrSetOutputFileOn}}, \code{\link{phrSetOutputStringsOn}} +##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' @examples ##' -##' ##---- Should be DIRECTLY executable !! ---- -##' ##-- ==> Define data, use random, -##' ##-- or do help(data=index) for the standard data sets. +##' # This example equilibrates pure water with gypsum with the output file on. +##' phrLoadDatabaseString(phreeqc.dat) +##' phrSetOutputFileOn(TRUE) +##' +##' input <- vector(mode="character") +##' input <- c(input, "SOLUTION 1 Pure water ") +##' input <- c(input, "EQUILIBRIUM_PHASES 1 ") +##' input <- c(input, " Gypsum 0 10 ") +##' +##' if (is.null(phrRunString(input))) { +##' output <- readLines(phrGetOutputFileName()) +##' unlink(phrGetOutputFileName()) # tidy up +##' } ##' -##' ## The function is currently defined as -##' function () -##' { -##' } -##' -phrGetOutputFileName = -function() -{ - return(.Call("getOutputFileName", PACKAGE=.packageName)) +phrGetOutputFileName <- +function() { + return(.Call("getOutputFileName", PACKAGE = .packageName)) } @@ -611,31 +568,30 @@ function() ##' ##' A NULL value is returned when there is no selected-output. ##' -##' @usage phrGetOutputStrings() -##' @return %% ~Describe the value returned %% If it is a LIST, use %% -##' \item{comp1 }{Description of 'comp1'} %% \item{comp2 }{Description of -##' 'comp2'} %% ... -##' @note %% ~~further notes~~ -##' @seealso %% ~~objects to See Also as \code{\link{help}}, ~~~ -##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} -##' @keywords interface +##' @export phrGetOutputStrings ##' @useDynLib phreeqc -##' @export +##' @return A character vector containing phreeqc output. +##' @seealso \code{\link{phrGetOutputFileName}}, \code{\link{phrGetOutputFileOn}}, \code{\link{phrGetOutputStringsOn}}, \code{\link{phrSetOutputFileOn}} +##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' @examples ##' -##' ##---- Should be DIRECTLY executable !! ---- -##' ##-- ==> Define data, use random, -##' ##-- or do help(data=index) for the standard data sets. +##' # This example equilibrates pure water with calcite and displays +##' # the results +##' phrLoadDatabaseString(phreeqc.dat) +##' phrSetOutputStringsOn(TRUE) +##' +##' input <- vector(mode="character") +##' input <- c(input, "SOLUTION 1 Pure water ") +##' input <- c(input, "EQUILIBRIUM_PHASES 1 ") +##' input <- c(input, " Gypsum 0 10 ") +##' +##' if (is.null(phrRunString(input))) { +##' cat(phrGetOutputStrings(), sep = "\n") +##' } ##' -##' ## The function is currently defined as -##' function () -##' { -##' } -##' -phrGetOutputStrings = -function() -{ - return(.Call("getOutputStrings", PACKAGE=.packageName)) +phrGetOutputStrings <- +function() { + return(.Call("getOutputStrings", PACKAGE = .packageName)) } @@ -647,18 +603,17 @@ function() ##' concatenating the letter 'n' and the user number of the selected output ##' block. ##' -##' phrGetSelectedOutput uses the \code{\link{make.names}} function to create valid column -##' names. The allow_ variable is passed to \code{\link{make.names}} and is used for backward -##' compatibility. +##' phrGetSelectedOutput uses the \code{\link{make.names}} function to create +##' valid column names. The allow_ variable is passed to +##' \code{\link{make.names}} and is used for backward compatibility. ##' ##' @export phrGetSelectedOutput ##' @useDynLib phreeqc -##' @param allow_ for compatibility with R prior to 1.9.0 (default is TRUE). +##' @param allow_ used for compatibility with R prior to 1.9.0 (default is TRUE). ##' @return Returns a named list of data frames containing the selected_output from the previous run. ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' @examples ##' -##' ##' # Load database and run ex2 ##' phrLoadDatabaseString(phreeqc.dat) ##' phrRunString(ex2) @@ -667,14 +622,14 @@ function() ##' df <- phrGetSelectedOutput() ##' summary(df$n1) ##' -phrGetSelectedOutput = -function(allow_ = TRUE) -{ - sel_outs <- .Call("getSelOutLst", PACKAGE=.packageName) +phrGetSelectedOutput <- +function(allow_ = TRUE) { + sel_outs <- .Call("getSelOutLst", PACKAGE = .packageName) if (!is.null(sel_outs)) { for (t in names(sel_outs)) { if (!is.null(sel_outs[[t]])) { - names(sel_outs[[t]]) <- make.names(names(sel_outs[[t]]), unique = TRUE, allow_ = allow_) + names(sel_outs[[t]]) <- make.names(names(sel_outs[[t]]), unique = TRUE, + allow_ = allow_) } } } @@ -688,19 +643,15 @@ function(allow_ = TRUE) ##' Returns a character vector containing any warning messages that were ##' generated during the last invocation of the following methods: ##' \code{\link{phrAccumulateLine}}, \code{\link{phrLoadDatabase}}, -##' \code{\link{phrLoadDatabaseString}}, \code{\link{phrRunAccumulatedeadString}}, +##' \code{\link{phrLoadDatabaseString}}, \code{\link{phrRunAccumulated}}, ##' \code{\link{phrRunFile}}, \code{\link{phrRunString}}. ##' ##' A NULL value is returned if there are no warnings. ##' -##' @usage phrGetWarningStrings() -##' @return A character vector containing warning messages or NULL. -##' @note %% ~~further notes~~ -##' @seealso %% ~~objects to See Also as \code{\link{help}}, ~~~ -##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} -##' @keywords interface +##' @export phrGetWarningStrings ##' @useDynLib phreeqc -##' @export +##' @return A character vector containing warning messages or NULL. +##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' @examples ##' ##' # This example loads the phreeqc.dat database and attempts to use the @@ -712,13 +663,12 @@ function(allow_ = TRUE) ##' phrAccumulateLine("SOLUTION 1") ##' phrRunAccumulated() ##' if (!is.null(phrGetWarningStrings())) { -##' cat(phrGetWarningStrings(), sep="\n") +##' cat(phrGetWarningStrings(), sep = "\n") ##' } ##' -phrGetWarningStrings = -function() -{ - return(.Call("getWarningStrings", PACKAGE=.packageName)) +phrGetWarningStrings <- +function() { + return(.Call("getWarningStrings", PACKAGE = .packageName)) } @@ -728,14 +678,12 @@ function() ##' Loads the given phreeqc database into phreeqc. Returns NULL if successful. ##' ##' -##' @usage phrLoadDatabase(filename) -##' @param filename The file name of the database. +##' @export phrLoadDatabase +##' @useDynLib phreeqc +##' @param filename The name of the database file. ##' @return This function returns NULL. ##' @seealso \code{\link{phrLoadDatabaseString}} ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} -##' @keywords interface -##' @useDynLib phreeqc -##' @export ##' @examples ##' ##' # create temporary database file @@ -751,10 +699,9 @@ function() ##' # delete temporary database file ##' unlink(tf) ##' -phrLoadDatabase = -function(filename) -{ - invisible(.Call("loadDB", as.character(filename), PACKAGE=.packageName)) +phrLoadDatabase <- +function(filename) { + invisible(.Call("loadDB", as.character(filename), PACKAGE = .packageName)) } @@ -764,31 +711,28 @@ function(filename) ##' Load the specified string(s) as a database into phreeqc. Returns NULL if ##' successful. ##' -##' %% ~~ If necessary, more details than the description above ~~ +##' All previous definitions are cleared. ##' -##' @usage phrLoadDatabaseString(input) +##' @export phrLoadDatabaseString +##' @useDynLib phreeqc ##' @param input String containing data to be used as the phreeqc database. ##' @return This function returns NULL. -##' @note All previous definitions are cleared. ##' @seealso \code{\link{phrLoadDatabase}} ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' @keywords interface -##' @useDynLib phreeqc -##' @export ##' @examples ##' -##' # this example loads the phreeqc.dat database, turns on the -##' # output file and runs ex2 as a string -##' phrLoadDatabaseString(phreeqc.dat) -##' phrSetOutputFileOn(TRUE) -##' if (is.null(phrRunString(ex2))) { -##' cat(paste("see ", phrGetOutputFileName(), ".\n", sep="")) -##' } +##' # this example loads the phreeqc.dat database, turns on the +##' # output file and runs ex2 as a string +##' phrLoadDatabaseString(phreeqc.dat) +##' phrSetOutputFileOn(TRUE) +##' if (is.null(phrRunString(ex2))) { +##' cat(paste("see ", phrGetOutputFileName(), ".\n", sep = "")) +##' } ##' -phrLoadDatabaseString = -function(input) -{ - invisible(.Call("loadDBLst", as.character(input), PACKAGE=.packageName)) +phrLoadDatabaseString <- +function(input) { + invisible(.Call("loadDBLst", as.character(input), PACKAGE = .packageName)) } @@ -800,17 +744,16 @@ function(input) ##' After calling \code{phrRunAccumulated} \code{\link{phrGetAccumulatedLines}} can ##' be used in case of errors. The accumulated lines will be cleared on the next call ##' to \code{\link{phrAccumulateLine}}. +##' +##' The \code{phrAccumulateLine} method cannot be called until a database +##' has been successfully loaded by calls to either +##' \code{\link{phrLoadDatabase}} or \code{\link{phrLoadDatabaseString}}. ##' -##' @usage phrRunAccumulated() -##' @return This function returns NULL on success. -##' @note The \code{phrAccumulateLine} method cannot be called until a database -##' has been successfully loaded by calls to either \code{\link{phrLoadDatabase}} or \code{\link{phrLoadDatabaseString}}. -##' @seealso \code{\link{phrAccumulateLine}}, \code{\link{phrClearAccumulatedLines}}, -##' \code{\link{phrGetAccumulatedLines}}, \code{\link{phrRunFile}}, \code{\link{phrRunString}} -##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} -##' @keywords interface +##' @export phrRunAccumulated ##' @useDynLib phreeqc -##' @export +##' @return This function returns NULL on success. +##' @seealso \code{\link{phrAccumulateLine}}, \code{\link{phrClearAccumulatedLines}}, \code{\link{phrGetAccumulatedLines}}, \code{\link{phrRunFile}}, \code{\link{phrRunString}} +##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' @examples ##' ##' # turn on the output file @@ -838,12 +781,11 @@ function(input) ##' ##' # run it and echo the name of the output file ##' if (is.null(phrRunAccumulated())) { -##' cat(paste("see ", phrGetOutputFileName(), ".\n", sep="")) +##' cat(paste("see ", phrGetOutputFileName(), ".\n", sep = "")) ##' } -phrRunAccumulated = -function() -{ - invisible(.Call("runAccum", PACKAGE=.packageName)) +phrRunAccumulated <- +function() { + invisible(.Call("runAccum", PACKAGE = .packageName)) } @@ -852,15 +794,12 @@ function() ##' ##' phrRunFile executes a phreeqc run using a file as input ##' -##' @usage phrRunFile(filename) +##' @export phrRunFile +##' @useDynLib phreeqc ##' @param filename The file name of the phreeqc input file. ##' @return This function returns NULL on success. -##' @seealso \code{\link{phrReadString}}, \code{\link{phrRun}}, -##' \code{\link{phrGetSelectedOutput}} +##' @seealso \code{\link{phrAccumulateLine}}, \code{\link{phrRunAccumulated}}, \code{\link{phrGetSelectedOutput}} ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} -##' @keywords interface -##' @useDynLib phreeqc -##' @export ##' @examples ##' ##' # load the phreeqc.dat database @@ -873,11 +812,12 @@ function() ##' if (is.null(phrRunFile("ex2"))) { ##' cat("use phrGetSelectedOutput() to see results.") ##' } +##' +##' unlink("ex2") # tidy up ##' -phrRunFile = -function(filename) -{ - invisible(.Call("runFile", as.character(filename), PACKAGE=.packageName)) +phrRunFile <- +function(filename) { + invisible(.Call("runFile", as.character(filename), PACKAGE = .packageName)) } @@ -891,15 +831,13 @@ function(filename) ##' been successfully loaded by one of the following the LoadDatabase ##' methods \code{\link{phrLoadDatabase}}, \code{\link{phrLoadDatabaseString}}. ##' -##' @usage phrRunString(input) +##' @export phrRunString +##' @useDynLib phreeqc ##' @param input character vector containing phreeqc input ##' @return This function returns NULL on success. -##' @note %% ~~further notes~~ ##' @seealso \code{\link{phrRunAccumulated}}, \code{\link{phrRunFile}} ##' @references \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} ##' @keywords interface -##' @useDynLib phreeqc -##' @export ##' @examples ##' ##' # @@ -923,10 +861,9 @@ function(filename) ##' phrRunString(input) ##' cat(paste("see", phrGetOutputFileName(), ".")) ##' -phrRunString = -function(input) -{ - invisible(.Call("runStringLst", as.character(input), PACKAGE=.packageName)) +phrRunString <- +function(input) { + invisible(.Call("runStringLst", as.character(input), PACKAGE = .packageName)) } @@ -950,24 +887,23 @@ function(input) ##' phrSetDumpFileOn(TRUE) ##' phrSetDumpFileName("phreeqc.dump") ##' input <- c( -##' 'SOLUTION 1 Pure water ', -##' 'EQUILIBRIUM_PHASES 1 ', -##' ' Calcite 0 10 ', -##' 'SAVE solution 1 ', -##' 'SAVE equilibrium_phases 1 ', -##' 'DUMP ', -##' ' -solution 1 ', -##' ' -equilibrium_phases 1 ' -##' ) +##' 'SOLUTION 1 Pure water ', +##' 'EQUILIBRIUM_PHASES 1 ', +##' ' Calcite 0 10 ', +##' 'SAVE solution 1 ', +##' 'SAVE equilibrium_phases 1 ', +##' 'DUMP ', +##' ' -solution 1 ', +##' ' -equilibrium_phases 1 ' +##' ) ##' ##' if (is.null(phrRunString(input))) { -##' cat("see", phrGetDumpFileName(), "\n") +##' cat("see", phrGetDumpFileName(), "\n") ##' } ##' -phrSetDumpFileName = -function(filename) -{ - invisible(.Call("setDumpFileName", as.character(filename), PACKAGE=.packageName)) +phrSetDumpFileName <- +function(filename) { + invisible(.Call("setDumpFileName", as.character(filename), PACKAGE = .packageName)) } @@ -990,24 +926,23 @@ function(filename) ##' phrLoadDatabaseString(phreeqc.dat) ##' phrSetDumpFileOn(TRUE) ##' input <- c( -##' 'SOLUTION 1 Pure water ', -##' 'EQUILIBRIUM_PHASES 1 ', -##' ' Calcite 0 10 ', -##' 'SAVE solution 1 ', -##' 'SAVE equilibrium_phases 1 ', -##' 'DUMP ', -##' ' -solution 1 ', -##' ' -equilibrium_phases 1 ' -##' ) +##' 'SOLUTION 1 Pure water ', +##' 'EQUILIBRIUM_PHASES 1 ', +##' ' Calcite 0 10 ', +##' 'SAVE solution 1 ', +##' 'SAVE equilibrium_phases 1 ', +##' 'DUMP ', +##' ' -solution 1 ', +##' ' -equilibrium_phases 1 ' +##' ) ##' ##' if (is.null(phrRunString(input))) { -##' cat("see", phrGetDumpFileName(), "\n") +##' cat("see", phrGetDumpFileName(), "\n") ##' } ##' -phrSetDumpFileOn = -function(value) -{ - invisible(.Call("setDumpFileOn", as.logical(value), PACKAGE=.packageName)) +phrSetDumpFileOn <- +function(value) { + invisible(.Call("setDumpFileOn", as.logical(value), PACKAGE = .packageName)) } @@ -1031,25 +966,24 @@ function(value) ##' phrLoadDatabaseString(phreeqc.dat) ##' phrSetDumpStringsOn(TRUE) ##' input <- c( -##' 'SOLUTION 1 Pure water ', -##' 'EQUILIBRIUM_PHASES 1 ', -##' ' Calcite 0 10 ', -##' 'SAVE solution 1 ', -##' 'SAVE equilibrium_phases 1 ', -##' 'DUMP ', -##' ' -solution 1 ', -##' ' -equilibrium_phases 1 ' -##' ) +##' 'SOLUTION 1 Pure water ', +##' 'EQUILIBRIUM_PHASES 1 ', +##' ' Calcite 0 10 ', +##' 'SAVE solution 1 ', +##' 'SAVE equilibrium_phases 1 ', +##' 'DUMP ', +##' ' -solution 1 ', +##' ' -equilibrium_phases 1 ' +##' ) ##' ##' if (is.null(phrRunString(input))) { -##' cat("Dump:\n") -##' cat(phrGetDumpStrings(), sep="\n") +##' cat("Dump:\n") +##' cat(phrGetDumpStrings(), sep = "\n") ##' } ##' -phrSetDumpStringsOn = -function(value) -{ - invisible(.Call("setDumpStringOn", as.logical(value), PACKAGE=.packageName)) +phrSetDumpStringsOn <- +function(value) { + invisible(.Call("setDumpStringOn", as.logical(value), PACKAGE = .packageName)) } @@ -1072,19 +1006,18 @@ function(value) ##' phrSetLogFileOn(TRUE) ##' phrSetLogFileName("phreeqc.log") ##' input <- c( -##' 'SOLUTION 1 Pure water ', -##' 'EQUILIBRIUM_PHASES 1 ', -##' ' Calcite 0 10 ' -##' ) +##' 'SOLUTION 1 Pure water ', +##' 'EQUILIBRIUM_PHASES 1 ', +##' ' Calcite 0 10 ' +##' ) ##' ##' if (is.null(phrRunString(input))) { -##' cat("see", phrGetLogFileName(), "\n") +##' cat("see", phrGetErrorFileName(), "\n") ##' } ##' -phrSetErrorFileName = -function(filename) -{ - invisible(.Call("setErrorFileName", as.character(filename), PACKAGE=.packageName)) +phrSetErrorFileName <- +function(filename) { + invisible(.Call("setErrorFileName", as.character(filename), PACKAGE = .packageName)) } @@ -1109,13 +1042,12 @@ function(filename) ##' phrSetErrorFileOn(TRUE) ##' phrSetErrorFileName("phreeqc.errors") ##' if (!is.null(try(phrRunString(ex1), silent=TRUE))) { -##' cat("see", phrGetErrorFileName(), "\n") +##' cat("see", phrGetErrorFileName(), "\n") ##' } ##' -phrSetErrorFileOn = -function(value) -{ - invisible(.Call("setErrorFileOn", as.logical(value), PACKAGE=.packageName)) +phrSetErrorFileOn <- +function(value) { + invisible(.Call("setErrorFileOn", as.logical(value), PACKAGE = .packageName)) } @@ -1140,13 +1072,12 @@ function(value) ##' # (no database is loaded). ##' phrSetErrorStringsOn(TRUE) ##' if (!is.null(try(phrRunString(ex1), silent=TRUE))) { -##' cat(phrGetErrorStrings(), "\n") +##' cat(phrGetErrorStrings(), "\n") ##' } ##' -phrSetErrorStringsOn = -function(value) -{ - invisible(.Call("setErrorStringOn", as.logical(value), PACKAGE=.packageName)) +phrSetErrorStringsOn <- +function(value) { + invisible(.Call("setErrorStringOn", as.logical(value), PACKAGE = .packageName)) } @@ -1172,21 +1103,20 @@ function(value) ##' phrSetLogFileOn(TRUE) ##' phrSetLogFileName("phreeqc.log") ##' input <- c( -##' 'SOLUTION 1 Pure water ', -##' 'EQUILIBRIUM_PHASES 1 ', -##' ' Calcite 0 10 ', -##' 'KNOBS ', -##' ' -logfile true ' -##' ) +##' 'SOLUTION 1 Pure water ', +##' 'EQUILIBRIUM_PHASES 1 ', +##' ' Calcite 0 10 ', +##' 'KNOBS ', +##' ' -logfile true ' +##' ) ##' ##' if (is.null(phrRunString(input))) { -##' cat("see", phrGetLogFileName(), "\n") +##' cat("see", phrGetLogFileName(), "\n") ##' } ##' -phrSetLogFileName = -function(filename) -{ - invisible(.Call("setLogFileName", as.character(filename), PACKAGE=.packageName)) +phrSetLogFileName <- +function(filename) { + invisible(.Call("setLogFileName", as.character(filename), PACKAGE = .packageName)) } @@ -1217,13 +1147,12 @@ function(filename) ##' phrRunAccumulated() ##' ##' if (is.null(phrRunString(ex2))) { -##' cat("see", phrGetLogFileName(), "\n") +##' cat("see", phrGetLogFileName(), "\n") ##' } ##' -phrSetLogFileOn = -function(value) -{ - invisible(.Call("setLogFileOn", as.logical(value), PACKAGE=.packageName)) +phrSetLogFileOn <- +function(value) { + invisible(.Call("setLogFileOn", as.logical(value), PACKAGE = .packageName)) } @@ -1251,13 +1180,12 @@ function(value) ##' phrRunAccumulated() ##' ##' if (is.null(phrRunString(ex2))) { -##' cat(phrGetLogStrings(), sep="\n") +##' cat(phrGetLogStrings(), sep = "\n") ##' } ##' -phrSetLogStringsOn = -function(value) -{ - invisible(.Call("setLogStringOn", as.logical(value), PACKAGE=.packageName)) +phrSetLogStringsOn <- +function(value) { + invisible(.Call("setLogStringOn", as.logical(value), PACKAGE = .packageName)) } @@ -1282,19 +1210,18 @@ function(value) ##' phrSetOutputFileOn(TRUE) ##' phrSetOutputFileName("phreeqc.output") ##' input <- c( -##' 'SOLUTION 1 Pure water ', -##' 'EQUILIBRIUM_PHASES 1 ', -##' ' Calcite 0 10 ' -##' ) +##' 'SOLUTION 1 Pure water ', +##' 'EQUILIBRIUM_PHASES 1 ', +##' ' Calcite 0 10 ' +##' ) ##' ##' if (is.null(phrRunString(input))) { -##' cat("see", phrGetOutputFileName(), "\n") +##' cat("see", phrGetOutputFileName(), "\n") ##' } ##' -phrSetOutputFileName = -function(filename) -{ - invisible(.Call("setOutputFileName", as.character(filename), PACKAGE=.packageName)) +phrSetOutputFileName <- +function(filename) { + invisible(.Call("setOutputFileName", as.character(filename), PACKAGE = .packageName)) } @@ -1323,16 +1250,15 @@ function(filename) ##' phrLoadDatabaseString(phreeqc.dat) ##' phrSetOutputFileOn(TRUE) ##' if (is.null(phrRunFile(tf))) { -##' cat("see", phrGetOutputFileName(), "\n") +##' cat("see", phrGetOutputFileName(), "\n") ##' } ##' ##' # delete temporary input file ##' unlink(tf) ##' -phrSetOutputFileOn = -function(value) -{ - invisible(.Call("setOutputFileOn", as.logical(value), PACKAGE=.packageName)) +phrSetOutputFileOn <- +function(value) { + invisible(.Call("setOutputFileOn", as.logical(value), PACKAGE = .packageName)) } @@ -1360,19 +1286,34 @@ function(value) ##' phrLoadDatabaseString(phreeqc.dat) ##' phrSetOutputStringsOn(TRUE) ##' input <- c( -##' 'SOLUTION 1 Pure water ', -##' 'EQUILIBRIUM_PHASES 1 ', -##' ' Calcite 0 10 ' -##' ) +##' 'SOLUTION 1 Pure water ', +##' 'EQUILIBRIUM_PHASES 1 ', +##' ' Calcite 0 10 ' +##' ) ##' ##' if (is.null(phrRunString(input))) { -##' cat(phrGetOutputStrings(), sep="\n") +##' cat(phrGetOutputStrings(), sep = "\n") ##' } ##' -phrSetOutputStringsOn = -function(value) -{ - invisible(.Call("setOutputStringOn", as.logical(value), PACKAGE=.packageName)) +phrSetOutputStringsOn <- +function(value) { + invisible(.Call("setOutputStringOn", as.logical(value), PACKAGE = .packageName)) } + +##' @name phreeqc.dat +##' @title XXX YYY ZZZ +##' @description This is the description TODO +##' @docType data +##' @usage phreeqc.dat +NULL + + + +##' @name Amm.dat +##' @title Title for Amm.dat +##' @description This is the description for Amm.dat TODO +##' @docType data +##' @usage Amm.dat +NULL