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https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-15 16:18:22 +01:00
Reorganized to put callback (and everything) in class.
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@7918 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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@ -8,13 +8,17 @@
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class MyData
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{
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public:
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void Mydata() {};
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void Mydata()
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{
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this->IPhreeqc_ptr = NULL;
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this->year = 0.0;
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}
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~MyData() {};
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// data members
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IPhreeqc * IPhreeqc_ptr;
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IPhreeqc * IPhreeqc_ptr;
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std::vector < VAR > results;
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double year;
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double year;
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// methods
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void ExtractWrite(int cell)
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@ -37,67 +41,70 @@ public:
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IPhreeqc_ptr->OutputErrorString();
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exit(EXIT_FAILURE);
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}
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static double MyCallback(double x1, double x2, const char * str1, void *my_ptr)
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{
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/*
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Use of a callback is optional.
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The callback provides a way to obtain data from a Basic program
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through the variables x1, x2, and str1, and send data to a
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Basic program through the return value of the callback.
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The void pointer mydata can be used to obtain data from the
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calling program; in this example, it points to a structure.
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The callback function is called whenever CALLBACK(x1, x2, str$)
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is used in a Basic program (usually USER_PUNCH). See file "ic".
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*/
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if (strcmp(str1, "Year") == 0)
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{
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fprintf(stderr, "\nCallback for cell %d: pH %8.2f\n", (int) x1, x2);
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return ((MyData *) my_ptr)->year;
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}
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return -1;
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}
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void Exec(void)
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{
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// Create module
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this->IPhreeqc_ptr = new IPhreeqc;
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// Load database
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if (this->IPhreeqc_ptr->LoadDatabase("phreeqc.dat") != 0) this->EHandler();
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// Set callback
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this->IPhreeqc_ptr->SetBasicCallback(this->MyCallback, (void *) this);
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// Define initial conditions and selected output
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this->year = 2014.0;
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if (this->IPhreeqc_ptr->RunFile("ic") != 0) this->EHandler();
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// Run cell 1
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if (this->IPhreeqc_ptr->RunString("RUN_CELLS; -cells; 1; END") != 0) this->EHandler();
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// Extract/write results
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this->ExtractWrite(1);
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// Advect cell 1 solution to cell 2
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this->year += 1.0;
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// Define new solution composition for cell 2 from cell 1 selected-output
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std::ostringstream oss;
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oss << "SOLUTION_MODIFY 2" << "\n";
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oss << " -cb " << this->results[0].dVal << "\n";
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oss << " -total_h " << this->results[1].dVal << "\n";
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oss << " -total_o " << this->results[2].dVal << "\n";
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oss << " -totals " << "\n";
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oss << " C " << this->results[3].dVal << "\n";
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oss << " Ca " << this->results[4].dVal << "\n";
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// run cell 2
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oss << "RUN_CELLS; -cells; 2; END\n";
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if (this->IPhreeqc_ptr->RunString(oss.str().c_str()) != 0) this->EHandler();
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// Extract/write results
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this->ExtractWrite(2);
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// Destroy module
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delete this->IPhreeqc_ptr;
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}
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};
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static double MyCallback(double x1, double x2, const char * str1, void *my_ptr)
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{
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/*
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Use of a callback is optional.
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The callback provides a way to obtain data from a Basic program
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through the variables x1, x2, and str1, and send data to a
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Basic program through the return value of the callback.
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The void pointer mydata can be used to obtain data from the
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calling program; in this example, it points to a structure.
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The callback function is called whenever CALLBACK(x1, x2, str$)
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is used in a Basic program (usually USER_PUNCH). See file "ic".
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*/
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if (strcmp(str1, "Year") == 0)
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{
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fprintf(stderr, "\nCallback for cell %d: pH %8.2f\n", (int) x1, x2);
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return ((MyData *) my_ptr)->year;
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}
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return -1;
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}
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int main(void)
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{
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MyData mydata;
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mydata.year = 2012.0;
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// Create module
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IPhreeqc * myIPhreeqc = new IPhreeqc;
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mydata.IPhreeqc_ptr = myIPhreeqc;
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// Load database
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if (myIPhreeqc->LoadDatabase("phreeqc.dat") != 0) mydata.EHandler();
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// Set callback
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myIPhreeqc->SetBasicCallback(&MyCallback, (void *) &mydata);
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// Define initial conditions and selected output
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if (myIPhreeqc->RunFile("ic") != 0) mydata.EHandler();
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// Run cell 1
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if (myIPhreeqc->RunString("RUN_CELLS; -cells; 1; END") != 0) mydata.EHandler();
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// Extract/write results
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mydata.ExtractWrite(1);
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// Advect cell 1 solution to cell 2
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mydata.year += 1.0;
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// Define new solution composition for cell 2
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std::ostringstream oss;
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oss << "SOLUTION_MODIFY 2" << "\n";
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oss << " -cb " << mydata.results[0].dVal << "\n";
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oss << " -total_h " << mydata.results[1].dVal << "\n";
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oss << " -total_o " << mydata.results[2].dVal << "\n";
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oss << " -totals " << "\n";
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oss << " C " << mydata.results[3].dVal << "\n";
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oss << " Ca " << mydata.results[4].dVal << "\n";
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// run cell 2
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oss << "RUN_CELLS; -cells; 2; END\n";
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if (myIPhreeqc->RunString(oss.str().c_str()) != 0) mydata.EHandler();
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// Extract/write results
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mydata.ExtractWrite(2);
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// Destroy module
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delete myIPhreeqc;
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mydata.Exec();
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}
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