main.cpp

/*
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 */

/* 
 * File:   main.cpp
 * Author: tg
 *
 * Created on June 6, 2020, 1:17 PM
 */

#include <iostream>
#include <gsl/gsl_vector_double.h>

#include "Parser.h"
#include "myOpt.h"
#include "ResParser.h"
#include "myExceptions.h"
#include "usage.h"

/*
 * 
 */
int main(int argc, char** argv) {
    
    myOpt::optimAlgo algorith;

    Parser parser(argc, argv);

    ResParser resParser(parser.insfile().c_str(), parser.verbose());
    
    switch (parser.optimAlgorithm()) {
        case 'g': case 'G':
            algorith = myOpt::optimAlgo::bfgs2;
            break;
        case 's': case 'S':
            algorith = myOpt::optimAlgo::nelder_mead;
            break;
        default:
            std::cout << "Unsupported optimisation algorithm, only 'g' (BFGS2) or 's' (Nelder-Mead Simplex) allowed\n";
            usage();
            return EXIT_FAILURE;
    }

    
    myOpt celloptim(resParser, parser.crystalSystem(), parser.gsl_steps(),
            parser.gsl_tolerance(), parser.gsl_epsgrad(), parser.gsl_maxIter(),
            parser.verbose(), algorith);

    if (parser.verbose() > 0) {
        celloptim.info();
        celloptim.settings();
    }

    double tgt = celloptim.optimise();

    if (parser.verbose() == 0) {
        std::cout << celloptim.cell_xlformat(resParser.lambda());
    } else {
        celloptim.info();
    }

    return 0;
}