diff --git a/R/Makefile b/R/Makefile index d1090773..2a88e386 100644 --- a/R/Makefile +++ b/R/Makefile @@ -17,6 +17,7 @@ VERSION ?= 1.0 DBS = \ Amm.ascii \ + ColdChem.ascii \ ex15.ascii \ iso.ascii \ llnl.ascii \ diff --git a/R/build-databases.R b/R/build-databases.R index f580937e..2b51af23 100644 --- a/R/build-databases.R +++ b/R/build-databases.R @@ -1,5 +1,6 @@ # databases ##Amm.dat.string <- paste(scan("../database/Amm.dat", what="", sep="\n"), collapse="\n") +##ColdChem.dat.string <- paste(scan("../database/ColdChem.dat", what="", sep="\n"), collapse="\n") ##iso.dat.string <- paste(scan("../database/iso.dat", what="", sep="\n"), collapse="\n") ##llnl.dat.string <- paste(scan("../database/llnl.dat", what="", sep="\n"), collapse="\n") ##minteq.dat.string <- paste(scan("../database/minteq.dat", what="", sep="\n"), collapse="\n") @@ -10,6 +11,7 @@ ##wateq4f.dat.string <- paste(scan("../database/wateq4f.dat", what="", sep="\n"), collapse="\n") # lists Amm.dat <- scan("Amm.ascii", what="", sep="\n") +ColdChem.dat <- scan("ColdChem.ascii", what="", sep="\n") ex15.dat <- scan("ex15.ascii", what="", sep="\n") iso.dat <- scan("iso.ascii", what="", sep="\n") llnl.dat <- scan("llnl.ascii", what="", sep="\n") @@ -19,5 +21,5 @@ 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.rda") +save(list = ls(all = TRUE), file = "phreeqc/data/databases.rda", compress = "xz") rm(list = ls(all = TRUE)) diff --git a/R/phreeqc.R.in b/R/phreeqc.R.in index 772e630e..ca1612cb 100644 --- a/R/phreeqc.R.in +++ b/R/phreeqc.R.in @@ -1403,7 +1403,7 @@ NULL ##' @name Amm.dat ##' @title The Amm.dat database. -##' @description Amm.dat is the same as phreeqc.dat, except that ammmonia redox +##' @description Amm.dat is the same as phreeqc.dat, except that ammonia redox ##' state has been decoupled from the rest of the nitrogen system; that is, ##' ammonia has been defined as a separate component. The database has been ##' reformatted for use by \code{\link{phrLoadDatabaseString}}. @@ -1417,6 +1417,21 @@ NULL +##' @name ColdChem.dat +##' @title The ColdChem.dat database. +##' @description ColdChem.dat is a low-temperature thermodynamic model for the +##' Na-K-Ca-Mg-Cl system incorporating new experimental heat capacities in +##' KCl, MgCl2, and CaCl2 solutions. Jonathan D. Toner and David C. Catling +##' The database has been reformatted for use by \code{\link{phrLoadDatabaseString}}. +##' @docType data +##' @family Databases +##' @source \url{http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc} +##' @usage ColdChem.dat # phrLoadDatabaseString(ColdChem.dat) +##' @keywords dataset +NULL + + + ##' @name wateq4f.dat ##' @title The wateq4f.dat database. ##' @description wateq4f.dat is a database derived from WATEQ4F. The database