componentAnalysis.h

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/*
 * componentAnalysis.h : Analysis of atomstic components (?)
 * Copyright (C) 2018  D Haley
 * 
 * This program 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.
 * 
 * This program 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 this program.  If not, see <http://www.gnu.org/licenses/>.
 */

#include "atomprobe/io/multiRange.h"

namespace AtomProbe
{

struct OVERLAP_PROBLEM_SETTINGS {
    // linked to one another 
    float massTolerance;

    // in ionic fraction
    float intensityTolerance;

    unsigned int maxDefaultCharge;
};

//TODO: An adjacency matrix still needs to be traversed to generate a
// connectivity path between the nodes.


void computeIonDistAdjacency(const MultiRange &mrf, const AbundanceData &abundance, const OVERLAP_PROBLEM_SETTINGS &settings, gsl_matrix* &m,
    gsl_vector* &vOwnership, gsl_vector* &vMass);


//void computeRange

#ifdef DEBUG    
bool testComponentAnalysis();

#endif
}