/*
* BioJava development code
*
* This code may be freely distributed and modified under the
* terms of the GNU Lesser General Public Licence. This should
* be distributed with the code. If you do not have a copy,
* see:
*
* http://www.gnu.org/copyleft/lesser.html
*
* Copyright for this code is held jointly by the individual
* authors. These should be listed in @author doc comments.
*
* For more information on the BioJava project and its aims,
* or to join the biojava-l mailing list, visit the home page
* at:
*
* http://www.biojava.org/
*
*/
package org.biojava.nbio.aaproperties.xml;
//import org.junit.Test;
import org.slf4j.Logger;
import org.slf4j.LoggerFactory;
import java.io.BufferedReader;
import java.io.FileReader;
import java.io.IOException;
import java.util.ArrayList;
import java.util.HashMap;
import java.util.List;
import java.util.Map;
public class GenerateJavaCodesFromTextTest {
private final static Logger logger = LoggerFactory.getLogger(GenerateJavaCodesFromTextTest.class);
/*
* Generate java codes from two text files; Symbol2Name.txt and Symbol2Weight.txt
*/
// commenting out since there's no assertions here - JD 2015-07-28
//@Test
public void generateCodes() throws IOException{
BufferedReader input = new BufferedReader(new FileReader("./src/test/resources/Symbol2Name.txt"));
Map<String, String> symbol2Name = new HashMap<String, String>();
String line = input.readLine();//Header line is not required
while((line = input.readLine()) != null){
String[] sA = line.split("\t");
symbol2Name.put(sA[1].trim(), sA[2].trim());
}
input.close();
input = new BufferedReader(new FileReader("./src/test/resources/Symbol2Weight.txt"));
List<String> elementNameList = new ArrayList<String>();
String elementName = null;
String elementNameLower = null;
Double elementMass = null;
while((line = input.readLine()) != null){
String[] sA = line.split("\t");
if(sA[0].length() > 0){
//Elements
logger.info("{}.setIsotopes(iList);", elementNameLower);
//int decimalPlace = getDecimalPlace(elementMass + "");
//System.out.println("assertEquals(" + elementMass + ", Utils.roundToDecimals(" + elementNameLower +
// ".getMass(), " + decimalPlace + "));");
String symbol = sA[1].trim();
elementName = symbol2Name.get(symbol);
elementNameLower = elementName.toLowerCase() ;
int protonNumber = Integer.parseInt(sA[0].trim());
elementMass = cleanNumber(sA[5]);
if(protonNumber > 82) break;
elementNameList.add(elementNameLower);
logger.info("iList = new ArrayList<Isotope>();");
logger.info("Element {} = new Element(\"{}\", \"{}\", {}, null, {});",
elementNameLower, elementName, symbol, protonNumber, elementMass);
}
int neutronNumber = Integer.parseInt(sA[2]);
double weight = cleanNumber(sA[3]);
//if(sA.length > 4 && sA[4].length() > 0) abundance = cleanNumber(sA[4]);
logger.info("iList.add(new Isotope(\"{}-{}\", {}, {}));",
elementName, neutronNumber, neutronNumber, weight);
}
input.close();
logger.info("List<Element> eList = new ArrayList<Element>();");
for(String e:elementNameList) logger.info("eList.add({});", e);
}
private double cleanNumber(String s){
int index = s.indexOf("(");
if(index != -1) s = s.substring(0, index);
return Double.parseDouble(s.replace(" ", "").replace("[", "").replace("]", ""));
}
/*private int getDecimalPlace(String s){
int i = s.indexOf(".");
return s.length() - (i + 1);
}*/
}