max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-15 16:18:22 +01:00
Code Issues Packages Projects Releases Wiki Activity

before removing CO2 example

Browse Source 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8669 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
Scott R Charlton 2014-04-24 01:31:23 +00:00
parent b68ae05507
commit 5c05b1019a
5 changed files with 888 additions and 49 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
R/Makefile
View File

@ -11,6 +11,7 @@ MAN=phreeqc/man
DBS = \
Amm.ascii \
ex15.ascii \
iso.ascii \
llnl.ascii \
minteq.ascii \
@ -235,6 +236,9 @@ all: $(PSRC) $(XSRC) $(DATA) $(MAN)/phreeqc-package.Rd
$(DATADIR)/databases.rda : $(DBS) build-databases.R
R --no-save --no-restore CMD BATCH build-databases.R
ex15.ascii : $(EXDIR)/ex15.dat
perl -pe 's/[^[:ascii:]]/?/g' $< > $@
%.ascii : $(DBDIR)/%.dat
perl -pe 's/[^[:ascii:]]/?/g' $< > $@

9
R/R.cpp
View File

@ -503,12 +503,19 @@ getOutputStrings(void)
}
SEXP
getSelectedOutputFileName(void)
getSelectedOutputFileName(SEXP nuser)
{
SEXP ans = R_NilValue;
// check args
if (!isInteger(nuser) || length(nuser) != 1) {
error("GetSelectedOutputFileName:nuser must be a single integer\n");
}
int save = R::singleton().GetCurrentSelectedOutputUserNumber();
R::singleton().SetCurrentSelectedOutputUserNumber(INTEGER(nuser)[0]);
PROTECT(ans = allocVector(STRSXP, 1));
SET_STRING_ELT(ans, 0, mkChar(R::singleton().GetSelectedOutputFileName()));
UNPROTECT(1);
R::singleton().SetCurrentSelectedOutputUserNumber(save);
return ans;
}

2
R/build-databases.R
View File

@ -10,6 +10,7 @@
##wateq4f.dat.string <- paste(scan("../database/wateq4f.dat", what="", sep="\n"), collapse="\n")
# lists
Amm.dat <- scan("Amm.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")
minteq.dat <- scan("minteq.ascii", what="", sep="\n")
@ -18,6 +19,5 @@ 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.RData")
save(list = ls(all = TRUE), compress = "xz", file = "phreeqc/data/databases.rda")
rm(list = ls(all = TRUE))

35
R/build-examples.R
View File

@ -10,14 +10,31 @@
##ex8.string <- paste(scan("../phreeqc3-examples/ex8", what="", sep="\n"), collapse="\n")
##ex9.string <- paste(scan("../phreeqc3-examples/ex9", what="", sep="\n"), collapse="\n")
# lists
ex1 <- scan("../phreeqc3-examples/ex1", what="", sep="\n")
ex2 <- scan("../phreeqc3-examples/ex2", what="", sep="\n")
ex3 <- scan("../phreeqc3-examples/ex3", what="", sep="\n")
ex4 <- scan("../phreeqc3-examples/ex4", what="", sep="\n")
ex5 <- scan("../phreeqc3-examples/ex5", what="", sep="\n")
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")
ex1 <- scan("../phreeqc3-examples/ex1", what="", sep="\n")
ex2 <- scan("../phreeqc3-examples/ex2", what="", sep="\n")
ex3 <- scan("../phreeqc3-examples/ex3", what="", sep="\n")
ex4 <- scan("../phreeqc3-examples/ex4", what="", sep="\n")
ex5 <- scan("../phreeqc3-examples/ex5", what="", sep="\n")
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")
ex10 <- scan("../phreeqc3-examples/ex10", what="", sep="\n")
ex11 <- scan("../phreeqc3-examples/ex11", what="", sep="\n")
ex12 <- scan("../phreeqc3-examples/ex12", what="", sep="\n")
ex13a <- scan("../phreeqc3-examples/ex13a", what="", sep="\n")
ex13b <- scan("../phreeqc3-examples/ex13b", what="", sep="\n")
ex13c <- scan("../phreeqc3-examples/ex13c", what="", sep="\n")
ex14 <- scan("../phreeqc3-examples/ex14", what="", sep="\n")
ex15 <- scan("../phreeqc3-examples/ex15", what="", sep="\n")
ex16 <- scan("../phreeqc3-examples/ex16", what="", sep="\n")
ex17 <- scan("../phreeqc3-examples/ex17", what="", sep="\n")
ex18 <- scan("../phreeqc3-examples/ex18", what="", sep="\n")
ex19 <- scan("../phreeqc3-examples/ex19", what="", sep="\n")
ex20a <- scan("../phreeqc3-examples/ex20a", what="", sep="\n")
ex20b <- scan("../phreeqc3-examples/ex20b", what="", sep="\n")
ex21 <- scan("../phreeqc3-examples/ex21", what="", sep="\n")
ex22 <- scan("../phreeqc3-examples/ex22", what="", sep="\n")
save(list = ls(all=TRUE), file="phreeqc/data/examples.rda")
rm(list = ls(all=TRUE))

887
R/phreeqc/R/phreeqc.R
View File

File diff suppressed because it is too large Load Diff