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TEMPLATE = app | ||
CONFIG += console | ||
CONFIG -= app_bundle | ||
CONFIG -= qt | ||
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SOURCES += main.cpp \ | ||
$$PWD/../freeimodpoly.cpp | ||
HEADERS += \ | ||
$$PWD/../freeimodpoly.h | ||
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INCLUDEPATH += $$PWD/../../../Vespucci/MinGW_libs/include | ||
DEPENDPATH += $$PWD/../../../Vespucci/MinGW_libs/include | ||
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INCLUDEPATH += $$PWD/../FreeIModPoly | ||
DEPENDPATH += $$PWD/../FreeIModPoly | ||
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#Armadillo | ||
win32: LIBS += -L$$PWD/../../../Vespucci/MinGW_libs/lib/ -larmadillo | ||
win32-g++: PRE_TARGETDEPS += $$PWD/../../../Vespucci/MinGW_libs/lib/libarmadillo.a | ||
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#HDF5 | ||
win32: LIBS += -L$$PWD/../../../Vespucci/MinGW_libs/lib/ -lhdf5 | ||
wind32-g++: PRE_TARGETDEPS += $$PWD/../../../Vespucci/MinGW_libs/lib/libhdf5.a | ||
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#ARPACK-NG | ||
win32: LIBS += -L$$PWD/../../../Vespucci/MinGW_libs/lib/ -larpack | ||
win32-g++: PRE_TARGETDEPS += $$PWD/../../../Vespucci/MinGW_libs/lib/libarpack.a | ||
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#OpenBLAS (linked dynamically because arpack links it dynamically) | ||
win32: LIBS += -L$$PWD/../../../Vespucci/MinGW_libs/lib/ -llibopenblas | ||
win32-g++: PRE_TARGETDEPS += $$PWD/../../../Vespucci/MinGW_libs/lib/libopenblas.dll.a | ||
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#Libgfortran | ||
win32: LIBS += -L$$PWD/../MinGW_libs/lib/$$PWD/../../../Vespucci/MinGW_libs/lib/ -lgfortran | ||
win32-g++: PRE_TARGETDEPS += $$PWD/../../../Vespucci/MinGW_libs/lib/libgfortran.a | ||
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// Copyright (C) 2015 Wright State University | ||
// Author: Daniel P. Foose | ||
// This file is part of FreeIModPoly. | ||
// | ||
// FreeIModPoly is free software; you can redistribute it and/or modify it | ||
// under the terms of the GNU General Public License as published by | ||
// the Free Software Foundation; either version 3 of the License, or (at | ||
// your option) any later version. | ||
// | ||
// FreeIModPoly is distributed in the hope that it will be useful, but | ||
// WITHOUT ANY WARRANTY; without even the implied warranty of | ||
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU | ||
// General Public License for more details. | ||
// | ||
// You should have received a copy of the GNU General Public License | ||
// along with Octave; see the file LICENSE. If not, see | ||
// <http://www.gnu.org/licenses/>. | ||
// | ||
// FreeIModPoly: A free software implementation of the Vancouver Raman Algorithm | ||
// Please cite DOI: 10.1366/000370207782597003 and this project (see CITATION) | ||
// The author of this implementation is not associated with the authors of the | ||
// algorithm. | ||
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#include <iostream> | ||
#include <string> | ||
#include "freeimodpoly.h" | ||
#include <algorithm> | ||
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using namespace std; | ||
/// | ||
/// \brief main | ||
/// \param argc | ||
/// \param argv | ||
/// \return | ||
/// How to call: freeimodpoly order max_it threshold infile outfile outtype transpose | ||
/// Valid outtypes: | ||
/// "txt" - whitespace-delimited text | ||
/// "csv" - comma-delimited text\ | ||
/// | ||
/// Default outfile is infile with _corrected appended to name (including old extension) | ||
/// The file is structured in columns: abscissa baseline corrected for single spectra | ||
/// Baseline and corrected are stored in separate files "_baseline, _corrected" | ||
/// Default format is csv | ||
/// | ||
/// Program crashes on invalid input, but I'm not going to do anything about it | ||
/// If you need to transpose, you've got to specify all parameters, sorry. | ||
int main(int argc, char* argv[]) | ||
{ | ||
string infilename, outfilename, blfilename; | ||
unsigned int poly_order, max_it; | ||
double threshold; | ||
file_type outtype; | ||
string outtype_text; | ||
bool transpose = false; | ||
//parse commandline parameters: | ||
switch (argc){ | ||
case 1: case 2: case 3: case 4: | ||
cerr << "No spectrum file specified" << endl; | ||
return 1; | ||
case 5: | ||
infilename = string(argv[4]); | ||
outfilename = infilename + "_corrected.csv"; | ||
blfilename = infilename + "_baseline.csv"; | ||
poly_order = atof(argv[1]); | ||
max_it = atof(argv[2]); | ||
threshold = atof(argv[3]); | ||
outtype = csv_ascii; | ||
break; | ||
case 6: | ||
infilename = string(argv[4]); | ||
outfilename = string(argv[5]); | ||
blfilename = outfilename + "_baseline.csv"; | ||
poly_order = atof(argv[1]); | ||
max_it = atof(argv[2]); | ||
threshold = atof(argv[3]); | ||
outtype = csv_ascii; | ||
break; | ||
case 7: | ||
infilename = string(argv[4]); | ||
outfilename = string(argv[5]); | ||
blfilename = outfilename + "_baseline.csv"; | ||
poly_order = atof(argv[1]); | ||
max_it = atof(argv[2]); | ||
threshold = atof(argv[3]); | ||
outtype_text = string(argv[6]); | ||
transform(outtype_text.begin(), outtype_text.end(), outtype_text.begin(), ::tolower); | ||
outtype = (outtype_text == "txt" ? raw_ascii : csv_ascii); | ||
break; | ||
case 8: default: | ||
infilename = string(argv[4]); | ||
outfilename = string(argv[5]); | ||
blfilename = outfilename + "_baseline.csv"; | ||
poly_order = atof(argv[1]); | ||
max_it = atof(argv[2]); | ||
threshold = atof(argv[3]); | ||
outtype_text = string(argv[6]); | ||
transform(outtype_text.begin(), outtype_text.end(), outtype_text.begin(), ::tolower); | ||
outtype = (outtype_text == "txt" ? raw_ascii : csv_ascii); | ||
transpose = true; | ||
break; | ||
} | ||
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using namespace arma; | ||
mat spec_file; | ||
spec_file.load(infilename); | ||
vec abscissa; | ||
mat spectra; | ||
try{ | ||
abscissa = spec_file.col(0); | ||
spectra = spec_file.cols(1, spec_file.n_cols - 1); | ||
}catch(std::exception e){ | ||
cerr << "Spectrum could not be loaded" << endl; | ||
return 1; | ||
} | ||
if(transpose){ | ||
inplace_trans(spectra); | ||
inplace_trans(abscissa); | ||
} | ||
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if (spectra.n_cols == 1){ | ||
vec baseline, corrected; | ||
mat out_mat(spectra.n_rows, 3); | ||
double err; | ||
int iter; | ||
try{ | ||
iter = FreeIModPoly::IModPoly(spectra.col(0), | ||
abscissa, | ||
baseline, | ||
corrected, | ||
err, poly_order, max_it, threshold); | ||
}catch(exception e){cerr << "exception thrown!" << endl; return 2;} | ||
out_mat.col(0) = abscissa; | ||
out_mat.col(1) = baseline; | ||
out_mat.col(3) = corrected; | ||
cout << "Final error: " << err << endl; | ||
if (iter >= max_it) | ||
cout << "Did not converge in " << iter << " iterations." << endl; | ||
else{ | ||
cout << "Converged in " << iter << " iterations." << endl; | ||
} | ||
bool ok = out_mat.save(outfilename, outtype); | ||
if (ok){return 0;} | ||
else{cout << "Save failed!" << endl; return 3;} | ||
} | ||
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else{ | ||
mat error_report (spectra.n_cols, 2); | ||
mat corrected_spectra(spectra.n_rows, spectra.n_cols + 1); | ||
mat baselines(spectra.n_rows, spectra.n_cols + 1); | ||
baselines.col(0) = abscissa; | ||
corrected_spectra.col(0) = abscissa; | ||
for (uword i = 0; i < spectra.n_cols; ++i){ | ||
double err; | ||
vec spectrum = spectra.col(i); | ||
vec baseline, corrected; | ||
int iter = FreeIModPoly::IModPoly(spectrum, abscissa, | ||
baseline, corrected, err, | ||
poly_order, max_it, threshold); | ||
baselines.col(i+1) = baseline; | ||
corrected_spectra.col(i+1) = corrected; | ||
error_report(i, 1) = err; | ||
error_report(i, 2) = (double) (iter < max_it); | ||
} | ||
bool blok = baselines.save("bl_" + outfilename, outtype); | ||
bool csok = corrected_spectra.save("cs_" + outfilename, outtype); | ||
bool erok = error_report.save("er_" + outfilename, outtype); | ||
cout << (blok ? "Saved baseline\n" : "Saving baslines failed\n") | ||
<< (csok ? "Saved corrected\n" : "Saving spectra failed\n") | ||
<< (erok ? "Saved error report\n" : "Saving error report failed\n"); | ||
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if(!(blok && csok && erok)){return 3;} | ||
else{return 0;} | ||
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} | ||
} | ||
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