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Open Source Chemistry Library
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/*
* Copyright (c) 1997 - 2016
* Actelion Pharmaceuticals Ltd.
* Gewerbestrasse 16
* CH-4123 Allschwil, Switzerland
*
* All rights reserved.
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* 1. Redistributions of source code must retain the above copyright notice, this
*    list of conditions and the following disclaimer.
* 2. Redistributions in binary form must reproduce the above copyright notice,
*    this list of conditions and the following disclaimer in the documentation
*    and/or other materials provided with the distribution.
* 3. Neither the name of the the copyright holder nor the
*    names of its contributors may be used to endorse or promote products
*    derived from this software without specific prior written permission.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND
* ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
* WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
* DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR
* ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
* (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
* ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*
*/

package com.actelion.research.chem;

import com.actelion.research.util.Formatter;

import java.util.Comparator;

public class Element {

	private int orderNumber;
	
	private String name;
	
	private String symbol;
	
	private double weight;
	
	private double covalentRadius;
	
	private double vdwRadius;

	private double electronegativity;

	public Element() {

	}

	public Element(int orderNumber, String name, String symbol,
			double weight, double covalentRadius, double vdwRadius, double electronegativity) {

		this.orderNumber = orderNumber;
		
		this.name = name;
		
		this.symbol = symbol;
		
		this.weight = weight;
		
		this.covalentRadius = covalentRadius;

		this.vdwRadius = vdwRadius;

		this.electronegativity = electronegativity;
	}

	public int getOrderNumber() {
		return orderNumber;
	}

	public String getName() {
		return name;
	}

	public String getSymbol() {
		return symbol;
	}

	public double getWeight() {
		return weight;
	}

	public double getCovalentRadius() {
		return covalentRadius;
	}

	public double getVDWRadius() {
		return vdwRadius;
	}

	public double getElectronegativity() {
		return electronegativity;
	}

	public void setElectronegativity(double electronegativity) {
		this.electronegativity = electronegativity;
	}

	public String toString() {
		
		return symbol;
	}


	public String toStringForValueTable(){

		StringBuilder sb = new StringBuilder();

		sb.append("new Element(");
		sb.append(orderNumber);
		sb.append(",");
		sb.append("\"" + name + "\"");
		sb.append(",");
		sb.append("\"" + symbol + "\"");
		sb.append(",");
		sb.append(Formatter.format3(weight));
		sb.append(",");
		sb.append(Formatter.format3(covalentRadius));
		sb.append(",");
		sb.append(Formatter.format3(vdwRadius));
		sb.append(",");
		sb.append(Formatter.format3(electronegativity));
		sb.append("),");

		return sb.toString();

	}


	public static Comparator getComparatorOrderNumber(){

		return new Comparator() {
			@Override
			public int compare(Element o1, Element o2) {

				int cmp = 0;

				if(o1.getOrderNumber() > o2.getOrderNumber()){
					cmp=1;
				}else if(o1.getOrderNumber() < o2.getOrderNumber()){
					cmp=-1;
				}

				return cmp;
			}
		};
	}



}