void drawHeatMap(TH2D *f1,TH2D *h1,TCanvas *can){
can->Divide(2);
can->cd(1);
f1->SetTitle(Form("%s PREX2 current",f1->GetTitle()));
//f1->SetTitle(Form("%s fullTgt 4inDonut",f1->GetTitle()));
f1->DrawCopy("colz");
gPad->SetLogz(1);
gPad->SetGridx(1);
gPad->SetGridy(1);
printIntegrals(f1);
can->cd(2);
h1->SetTitle(Form("%s CREX5 current",h1->GetTitle()));
//h1->SetTitle(Form("%s halfTgt 4inDonut",h1->GetTitle()));
h1->DrawCopy("colz");
gPad->SetLogz(1);
gPad->SetGridx(1);
gPad->SetGridy(1);
printIntegrals(h1);
}
int main(int argc, char* argv[])
{
int program = 0;
// Get input file from first command line argument
if(argc < 2){ // No input file given
std::cerr << "Usage: ./main [input_file]\n";
program = -1;
} else {
std::string ifname = argv[1]; // Input filename
std::string ofname = ifname; // Output file prefix
std::size_t pos = ofname.find('.');
if (pos != std::string::npos) { // Cut off extension
ofname.erase(pos, ofname.length());
}
// Open the input file
std::ifstream input(ifname);
// Check it opened successfully
if (!input.is_open()){
std::cerr << "Failed to open input file.\n";
program = -1;
} else {
// Make the system
System sys = makeSystem(input);
// Calculate the overlap integrals
sys.calcOverlap();
// Open main output file and print system details
std::ofstream output(ofname + ".out");
printSystem(sys, output, true);
// Do all the optional commands
int lastcmd = 0;
int flag = 1;
int orthog = 0;
std::vector<int> currcmd;
Eigen::MatrixXd f;
while(flag > 0){
currcmd = getNextCmd(input, lastcmd);
switch(currcmd[0]){
case 1: { // Print the overlap integrals
std::ofstream intout(ofname + ".ints");
printIntegrals(sys, intout);
intout.close();
break;
}
case 2: { // Print the sparse graph data
std::ofstream sparseout(ofname + ".sparse");
printSparseGraph(sys, sparseout, currcmd[1]);
sparseout.close();
break;
}
case 3: { // Canonical orthogonalisation
f = orthogonalise(sys, currcmd[1], CANONICAL);
orthog = 1;
break;
}
case 4: { // Gram-Schmidt orthogonalisation
f = orthogonalise(sys, currcmd[1], GRAM_SCHMIDT);
orthog = 2;
break;
}
case 5: { // Symmetric Lowdin orthogonalisation
f = orthogonalise(sys, currcmd[1], SYM_LOWDIN);
orthog = 3;
break;
}
case -1: { // Error
output << "\nErroneous command given.\n";
flag = 0;
program = -1;
break;
}
default: { // No more commands
output << "\nProgram finished.\n";
flag = 0;
}
}
lastcmd++;
}
// Print orthogonalisation data if needed
if (orthog > 0) {
std::ofstream orthogout(ofname + ".orthog");
printOrthog(sys, orthogout, f, orthog);
orthogout.close();
}
output.close();
}
}
return program;
}