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#include "SimTKmolmodel.h"
#include <iostream>
#include <fstream>
#include "TinkerAmber99.h"
using namespace SimTK;
using namespace std;
int main() {
cout << "TESTING..." << endl;
try {
// For nightly builds, don't count on presence of external files
// DuMMForceFieldSubsystem dumm("../../resources/tinker_amber99_clean.prm");
DuMMForceFieldSubsystem dumm;
dumm.loadAmber99Parameters();
dumm.dumpCForceFieldParameters(cout, "populateAmber99Params");
// std::ofstream testOutFile("C:/testAmberParams.cpp");
// dumm.dumpCForceFieldParameters(testOutFile, "populateAmber99Params");
// dumm.generateBiotypeChargedAtomTypeSelfCode(testOutFile);
dumm.generateBiotypeChargedAtomTypeSelfCode(cout);
// Create a second file, which should be identical
DuMMForceFieldSubsystem dumm2;
// populateAmber99Params(dumm2);
dumm2.loadAmber99Parameters();
// std::ofstream testOutFile2("C:/testAmberParams2.cpp");
dumm2.dumpCForceFieldParameters(cout, "populateAmber99Params");
cout << "PASSED" << endl;
return 0;
}
catch (...) {
cout << "FAILED" << endl;
return 1;
}
}
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