rangetest.cpp

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#include "atomprobe/atomprobe.h"

using namespace std;
using namespace AtomProbe;

#include "test.h"

int main()
{

    RangeFile rng;
    RGBf c;
    c.red=c.green=c.blue=1.0f;
    unsigned int ionId;
    ionId=rng.addIon("FeO","FeO",c);

    //add a range
    unsigned int rangeId;
    rangeId = rng.addRange(55.9+16.0,56.3+16.0,ionId);

    TEST(rng.isSelfConsistent(),"check self consistent");

    //Now, guess the charge state

    AbundanceData massTable;
    if(massTable.open("../data/naturalAbundance.xml"))
    {
        cerr << "unable to execute test, could not find abundance data" << endl;
        return 1;
    }

    unsigned int charge;
    if(!rng.guessChargeState(rangeId,massTable,charge))
    {
        cerr << "Unable to compute charge state, thats not right" << endl;
        TEST(false,"charge guess failed");
    }

    TEST(charge ==1,"Check charge state guess");

    MultiRange m(rng,massTable);

}