org.openscience.cdk.tools.ElementComparator Maven / Gradle / Ivy
/* Copyright (C) 1997-2007 The Chemistry Development Kit (CDK) project
*
* Contact: [email protected]
*
* This program is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public License
* as published by the Free Software Foundation; either version 2.1
* of the License, or (at your option) any later version.
* All we ask is that proper credit is given for our work, which includes
* - but is not limited to - adding the above copyright notice to the beginning
* of your source code files, and to any copyright notice that you may distribute
* with programs based on this work.
*
* 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 Lesser General Public License for more details.
*
* You should have received a copy of the GNU Lesser General Public License
* along with this program; if not, write to the Free Software
* Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA.
* */
package org.openscience.cdk.tools;
import java.util.Comparator;
/**
* Compares elements based on the order commonly used in
* molecular formula. Order:
* C, H, other elements in alphabetic order.
*
* @cdk.module standard
* @cdk.githash
*
* @cdk.keyword element, sorting
*/
public class ElementComparator implements Comparator {
private static final String H_ELEMENT_SYMBOL = "H";
private static final String C_ELEMENT_SYMBOL = "C";
/**
* Returns a negative if o1 comes before o2 in a molecular formula,
* returns zero if they are identical, and positive if o1 comes
* after o2 in the formula.
*/
@Override
public int compare(String o1, String o2) {
if (C_ELEMENT_SYMBOL.equals(o1)) {
if (C_ELEMENT_SYMBOL.equals(o2)) {
return 0;
} else {
return -1;
}
} else if (H_ELEMENT_SYMBOL.equals(o1)) {
if (C_ELEMENT_SYMBOL.equals(o2)) {
return 1;
} else if (H_ELEMENT_SYMBOL.equals(o2)) {
return 0;
} else {
return -1;
}
} else {
if (C_ELEMENT_SYMBOL.equals(o2) || H_ELEMENT_SYMBOL.equals(o2)) {
return 1;
} else {
return ((String) o1).compareTo((String) o2);
}
}
}
}
© 2015 - 2025 Weber Informatics LLC | Privacy Policy