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com.hfg xml, html, svg, and bioinformatics utility library
There is a newer version: 20240423
package com.hfg.chem;

import java.util.Map;

//------------------------------------------------------------------------------
/**
 Interface for an elemental composition and mass tracking object. All matter has
 mass and an elemental composition.
 
 @author J. Alex Taylor, hairyfatguy.com
 
 */
//------------------------------------------------------------------------------
// com.hfg XML/HTML Coding Library
//
// This library 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.
//
// This library 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 library; if not, write to the Free Software
// Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
//
// J. Alex Taylor, President, Founder, CEO, COO, CFO, OOPS hairyfatguy.com
// [email protected]
//------------------------------------------------------------------------------

public interface Matter
{
   //--------------------------------------------------------------------------
   /**
    Returns an unmodifiable copy of the elemental composition Map. The keys are
    Element objects and the values are Floats. Why Floats instead of Integers you
    ask? Because some amino acid codes such as B and Z are ambiguous averages.
    @return Map containing the elemental composition
    */
   public Map getElementalComposition();

   //--------------------------------------------------------------------------
   public Double getMonoisotopicMass();

   //--------------------------------------------------------------------------
   public Double getMonoisotopicMass(Element.AtomicWeightsVersion inAtomicWeightsVersion);

   //--------------------------------------------------------------------------
   public Double getAverageMass();

   //--------------------------------------------------------------------------
   public Double getAverageMass(Element.AtomicWeightsVersion inAtomicWeightsVersion);

   //--------------------------------------------------------------------------
   public Double getOrganicAverageMass();

   //--------------------------------------------------------------------------
   public String getChemicalFormula();

}