001package com.hfg.chem;
002
003import java.util.Map;
004
005//------------------------------------------------------------------------------
006/**
007 Interface for an elemental composition and mass tracking object. All matter has
008 mass and an elemental composition.
009 <div>
010 @author J. Alex Taylor, hairyfatguy.com
011 </div>
012 */
013//------------------------------------------------------------------------------
014// com.hfg XML/HTML Coding Library
015//
016// This library is free software; you can redistribute it and/or
017// modify it under the terms of the GNU Lesser General Public
018// License as published by the Free Software Foundation; either
019// version 2.1 of the License, or (at your option) any later version.
020//
021// This library is distributed in the hope that it will be useful,
022// but WITHOUT ANY WARRANTY; without even the implied warranty of
023// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
024// Lesser General Public License for more details.
025//
026// You should have received a copy of the GNU Lesser General Public
027// License along with this library; if not, write to the Free Software
028// Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
029//
030// J. Alex Taylor, President, Founder, CEO, COO, CFO, OOPS hairyfatguy.com
031// jataylor@hairyfatguy.com
032//------------------------------------------------------------------------------
033
034public interface Matter
035{
036   //--------------------------------------------------------------------------
037   /**
038    Returns an unmodifiable copy of the elemental composition Map. The keys are
039    Element objects and the values are Floats. Why Floats instead of Integers you
040    ask? Because some amino acid codes such as B and Z are ambiguous averages.
041    @return Map containing the elemental composition
042    */
043   public Map<Element, Float> getElementalComposition();
044
045   //--------------------------------------------------------------------------
046   public Double getMonoisotopicMass();
047
048   //--------------------------------------------------------------------------
049   public Double getAverageMass();
050
051   //--------------------------------------------------------------------------
052   public Double getOrganicAverageMass();
053
054   //--------------------------------------------------------------------------
055   public String getChemicalFormula();
056
057}