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C++ advection example

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git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@7897 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2013-08-08 19:55:09 +00:00
parent 329d568dbf
commit 5d78a2962c
2 changed files with 103 additions and 101 deletions
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101
examples/cpp/advect/advect.c
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@ -1,101 +0,0 @@
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <IPhreeqc.h>
int id;
int vt[8];
double dv[8];
char sv[8][100];
char buffer[100];
struct MyData
{
double year;
};
void ExtractWrite(int cell)
{
VAR v;
int j;
VarInit(&v);
for (j = 0; j < 8; ++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 %d\n\tpH: %4.2f\tSR(calcite): %4.2f\n", cell, (int) dv[7], 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);
}
double MyCallback(double x1, double x2, const char * str1, void *mydata)
{
/*
Use of a callback is optional.
The callback provides a way to obtain data from a Basic program
through the variables x1, x2, and str1, and send data to a
Basic program through the return value of the callback.
The void pointer mydata can be used to obtain data from the
calling program; in this example, it points to a structure.
The callback function is called whenever CALLBACK(x1, x2, str$)
is used in a Basic program (usually USER_PUNCH). See file "ic".
*/
if (strcmp(str1, "Year") == 0)
{
fprintf(stderr, "\nCallback for cell %d: pH %8.2f\n", (int) x1, x2);
return ((struct MyData *) mydata)->year;
}
return -1;
}
int main(void)
{
struct MyData mydata;
mydata.year = 2012.0;
/* Create module, load database, define initial conditions and selected output */
id = CreateIPhreeqc();
if (LoadDatabase(id, "phreeqc.dat") != 0) EHandler();
if (SetBasicCallback(id, MyCallback, &mydata) != 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]));
mydata.year += 1.0;
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);
}

103
examples/cpp/advect/advect.cpp Normal file
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#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <IPhreeqc.hpp>
#include <sstream>
#include <iomanip>
class MyData
{
public:
void Mydata() {};
~MyData() {};
// data members
IPhreeqc * IPhreeqc_ptr;
std::vector < VAR > results;
double year;
// methods
void ExtractWrite(int cell)
{
results.clear();
results.resize(IPhreeqc_ptr->GetSelectedOutputColumnCount());
for (int j = 0; j < IPhreeqc_ptr->GetSelectedOutputColumnCount(); ++j)
{
VarInit(&results[j]);
IPhreeqc_ptr->GetSelectedOutputValue(1, j, &results[j]);
}
std::cerr << "Cell " << cell << " " << (int) results[7].dVal
<< std::setprecision(2) << std::fixed
<< "\n\tpH: " << results[5].dVal
<< "\tSR(calcite): " << results[6].dVal << "\n";
}
void EHandler(void)
{
IPhreeqc_ptr->OutputErrorString();
exit(EXIT_FAILURE);
}
};
static double MyCallback(double x1, double x2, const char * str1, void *my_ptr)
{
/*
Use of a callback is optional.
The callback provides a way to obtain data from a Basic program
through the variables x1, x2, and str1, and send data to a
Basic program through the return value of the callback.
The void pointer mydata can be used to obtain data from the
calling program; in this example, it points to a structure.
The callback function is called whenever CALLBACK(x1, x2, str$)
is used in a Basic program (usually USER_PUNCH). See file "ic".
*/
if (strcmp(str1, "Year") == 0)
{
fprintf(stderr, "\nCallback for cell %d: pH %8.2f\n", (int) x1, x2);
return ((MyData *) my_ptr)->year;
}
return -1;
}
int main(void)
{
MyData mydata;
mydata.year = 2012.0;
// Create module
IPhreeqc * myIPhreeqc = new IPhreeqc;
mydata.IPhreeqc_ptr = myIPhreeqc;
// Load database
if (myIPhreeqc->LoadDatabase("phreeqc.dat") != 0) mydata.EHandler();
// Set callback
myIPhreeqc->SetBasicCallback(&MyCallback, (void *) &mydata);
// Define initial conditions and selected output
if (myIPhreeqc->RunFile("ic") != 0) mydata.EHandler();
// Run cell 1
if (myIPhreeqc->RunString("RUN_CELLS; -cells; 1; END") != 0) mydata.EHandler();
// Extract/write results
mydata.ExtractWrite(1);
// Advect cell 1 solution to cell 2
mydata.year += 1.0;
// Define new solution composition for cell 2
std::ostringstream oss;
oss << "SOLUTION_MODIFY 2" << "\n";
oss << " -cb " << mydata.results[0].dVal << "\n";
oss << " -total_h " << mydata.results[1].dVal << "\n";
oss << " -total_o " << mydata.results[2].dVal << "\n";
oss << " -totals " << "\n";
oss << " C " << mydata.results[3].dVal << "\n";
oss << " Ca " << mydata.results[4].dVal << "\n";
// run cell 2
oss << "RUN_CELLS; -cells; 2; END\n";
if (myIPhreeqc->RunString(oss.str().c_str()) != 0) mydata.EHandler();
// Extract/write results
mydata.ExtractWrite(2);
// Destroy module
delete myIPhreeqc;
}