removed c com fortran

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@5244 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
Scott R Charlton 2011-03-25 23:26:48 +00:00
parent ed93e89916
commit 7aa606a511
13 changed files with 0 additions and 3934 deletions

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@ -1,72 +0,0 @@
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <IPhreeqc.h>
int id;
int vt[7];
double dv[7];
char sv[7][100];
char buffer[100];
void ExtractWrite(int cell)
{
VAR v;
int j;
VarInit(&v);
for (j = 0; j < 7; ++j) {
GetSelectedOutputValue(id, 1, j, &v);
vt[j] = v.type;
switch (vt[j]) {
case TT_DOUBLE:
dv[j] = v.dVal;
sprintf(sv[j], "%23.15e", v.dVal);
break;
case TT_STRING:
strcpy(sv[j], v.sVal);
break;
}
VarClear(&v);
}
printf("Cell %d \n\tpH: %4.2f\tSR(calcite): %4.2f\n", cell, dv[5], dv[6]);
}
void EHandler(void)
{
OutputErrorString(id);
exit(EXIT_FAILURE);
}
const char *ConCat(const char *str1, const char *str2)
{
strcpy(buffer, str1);
return strcat(buffer, str2);
}
int main(void)
{
/* Create module, load database, define initial conditions and selected output */
id = CreateIPhreeqc();
if (LoadDatabase(id, "phreeqc.dat") != 0) EHandler();
if (RunFile(id, "ic") != 0) EHandler();
/* Run cell 1, extract/write result */
if (RunString(id, "RUN_CELLS; -cells; 1; END") != 0) EHandler();
ExtractWrite(1);
/* Advect cell 1 solution to cell 2, run cell 2, extract/write results */
AccumulateLine(id, ConCat("SOLUTION_MODIFY 2", "" ));
AccumulateLine(id, ConCat(" -cb ", sv[0]));
AccumulateLine(id, ConCat(" -total_h ", sv[1]));
AccumulateLine(id, ConCat(" -total_o ", sv[2]));
AccumulateLine(id, ConCat(" -totals ", "" ));
AccumulateLine(id, ConCat(" C ", sv[3]));
AccumulateLine(id, ConCat(" Ca ", sv[4]));
AccumulateLine(id, ConCat("RUN_CELLS; -cells; 2; END", "" ));
if (RunAccumulated(id) != 0) EHandler();
ExtractWrite(2);
/* Destroy module */
if (DestroyIPhreeqc(id) != IPQ_OK) EHandler();
exit(EXIT_SUCCESS);
}

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@ -1,26 +0,0 @@

Microsoft Visual Studio Solution File, Format Version 9.00
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@ -1,359 +0,0 @@
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@ -1,16 +0,0 @@
# File ic
SOLUTION 1-2
END
EQUILIBRIUM_PHASES 1
CO2(g) -1.5 10
EQUILIBRIUM_PHASES 2
Calcite 0 10
SELECTED_OUTPUT
-reset false
USER_PUNCH
-Heading charge H O C Ca pH SR(calcite)
10 PUNCH charge_balance
20 PUNCH TOTMOLE("H"), TOTMOLE("O"), TOTMOLE("C"), TOTMOLE("Ca")
30 PUNCH -LA("H+"), SR("calcite")
END

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@ -1,52 +0,0 @@
"""Compares gypsum solubility for WATEQ4F and Pitzer databases.
"""
# Import standard library modules first.
import os
# Then get third party modules.
from win32com.client import Dispatch
import matplotlib.pyplot as plt
def selected_array(db_path, input_string):
"""Load database via COM and run input string.
"""
dbase = Dispatch('IPhreeqcCOM.Object')
dbase.LoadDatabase(db_path)
dbase.RunString(input_string)
return dbase.GetSelectedOutputArray()
def show_results(input_string):
"""Get results for different databases
"""
wateq4f_result = selected_array('wateq4f.dat', input_string)
pitzer_result = selected_array('pitzer.dat', input_string)
# Get data from the arrays.
nacl_conc = [entry[0] for entry in wateq4f_result][1:]
wateq4f_values = [entry[1] for entry in wateq4f_result][1:]
pitzer_values = [entry[1] for entry in pitzer_result][1:]
# Plot
plt.plot(nacl_conc, pitzer_values, 'k', nacl_conc, wateq4f_values,'k--')
plt.axis([0, 6, 0, .06])
plt.legend(('PITZER','WATEQ4F'), loc = (0.4, 0.4))
plt.ylabel('GYPSUM SOLUBILITY, MOLES PER KILOGRAM WATER')
plt.xlabel('NaCl, MOLES PER KILOGRAM WATER')
plt.savefig("Figure2.png")
plt.show()
if __name__ == '__main__':
# This will only run when called as script from the command line
# and not when imported from another script.
INPUT_STRING = """
SOLUTION 1
END
INCREMENTAL_REACTIONS
REACTION
NaCl 1.0
0 60*0.1 moles
EQUILIBRIUM_PHASES
Gypsum
USE solution 1
SELECTED_OUTPUT
-reset false
-total Na S(6)
END"""
show_results(INPUT_STRING)

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@ -1,63 +0,0 @@
implicit none
include "IPhreeqc.f90.inc"
integer Errors, i, iresult, vtype
character(len=1024) Istring
character(len=30) svalue
double precision, dimension(0:6) :: dvalue
if (LoadDatabase("phreeqc.dat") .ne. 0) call ErrorMessage(Errors)
! Initial conditions
write(Istring,"(a/)") &
"Solution 1-2; END", &
"EQUILIBRIUM_PHASES 1; CO2(g) -1.5 10", &
"EQUILIBRIUM_PHASES 2; Calcite 0 10", &
"END"
Errors = AccumulateLine(Istring)
If (Run(.FALSE.,.FALSE.,.FALSE.,.FALSE.) .ne. 0) call ErrorMessage(Errors)
!If (runstring(Istring, .FALSE.,.FALSE.,.FALSE.,.FALSE.) .ne. 0) call ErrorMessage(Errors)
! Define SELECTED_OUTPUT and run cell 1
write(Istring,"(a/)") &
"SELECTED_OUTPUT; -reset false", &
"USER_PUNCH", &
" -Heading charge H O C Ca pH SR(calcite)", &
"10 w = TOT(""water"")", &
"20 PUNCH charge_balance, TOT(""H"")*w, TOT(""O"")*w, TOT(""C"")*w, TOT(""Ca"")*w", &
"30 PUNCH -LA(""H+""), SR(""calcite"")", &
"RUN_CELLS; -cells; 1; END"
Errors = AccumulateLine(Istring)
if (Run(.FALSE.,.FALSE.,.FALSE.,.FALSE.) .ne. 0) call ErrorMessage(Errors)
!call WriteResults(1, Ostring, GetSelectedOutputArray())
! Transfer to cell 2 and run cell 2
do i = 0, 6
iresult = GetSelectedOutputValue(1, i, vtype, dvalue(i), svalue)
enddo
write(Istring, "(a/3(a,e20.14/),a/2(a,e20.14/),a)") &
"SOLUTION_MODIFY 2", &
" -cb ", dvalue(0), &
" -total_h ", dvalue(1), &
" -total_o ", dvalue(2), &
" -totals ", &
" C ", dvalue(3), &
" Ca ", dvalue(4), &
"RUN_CELLS; -cells; 2; END"
Errors = AccumulateLine(Istring)
if (Run(.FALSE.,.FALSE.,.FALSE.,.FALSE.) .ne. 0) call ErrorMessage(Errors)
!call WriteResults(2, Ostring, GetSelectedOutputArray())
end
subroutine ErrorMessage(Errors)
integer Errors
write(*,*) "Errors in PHREEQC module: ", Errors
end subroutine ErrorMessage
subroutine WriteResults(cell)
integer cell
double precision ph, sr
ph = GetSelectedOutputValue(1, 5)
sr = GetSelectedOutputValue(1, 6)
write(*,*) "Cell: ", cell
write(*,*) " pH: ", pH, " SR(calcite): ", sr
End subroutine WriteResults

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@ -1,20 +0,0 @@

Microsoft Visual Studio Solution File, Format Version 9.00
# Visual Studio 2005
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EndProject
Global
GlobalSection(SolutionConfigurationPlatforms) = preSolution
Debug|Win32 = Debug|Win32
Release|Win32 = Release|Win32
EndGlobalSection
GlobalSection(ProjectConfigurationPlatforms) = postSolution
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{28459FF2-3C6C-469E-B0C3-2E4D483E7025}.Release|Win32.Build.0 = Release|Win32
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GlobalSection(SolutionProperties) = preSolution
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EndGlobalSection
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@ -1,33 +0,0 @@
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@ -1,14 +0,0 @@
SOLUTION 1-2
END
EQUILIBRIUM_PHASES 1
CO2(g) -1.5 10
EQUILIBRIUM_PHASES 2
Calcite 0 10
SELECTED_OUTPUT
-reset false
USER_PUNCH
-Heading charge H O C Ca pH SR(calcite)
10 w = TOT("water")
20 PUNCH charge_balance, TOT("H")*w, TOT("O")*w, TOT("C")*w, TOT("Ca")*w
30 PUNCH -LA("H+"), SR("calcite")
END

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