/*************************************************************************
* *
* This file is part of the 20n/act project. *
* 20n/act enables DNA prediction for synthetic biology/bioengineering. *
* Copyright (C) 2017 20n Labs, Inc. *
* *
* Please direct all queries to act@20n.com. *
* *
* 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/>. *
* *
*************************************************************************/
package com.act.lcms.v2;
import chemaxon.struc.PeriodicSystem;
public class LcmsElementIsotope implements ElementIsotope {
private Integer massNumber;
private Element element;
private Double abundance;
private Double isotopicMass;
public LcmsElementIsotope(Element element, Integer massNumber) {
this.element = element;
this.massNumber = massNumber;
this.abundance = PeriodicSystem.getAbundance(this.element.getAtomicNumber(), this.massNumber);
this.isotopicMass = PeriodicSystem.getMass(this.element.getAtomicNumber(), this.massNumber);
}
@Override
public Integer getMassNumber() {
return massNumber;
}
@Override
public Element getElement() {
return element;
}
@Override
public Double getAbundance() {
return abundance;
}
@Override
public Double getIsotopicMass() {
return isotopicMass;
}
}