coChemicalElement.h

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/* This file is part of COVISE.

   You can use it under the terms of the GNU Lesser General Public License
   version 2.1 or later, see lgpl-2.1.txt.

 * License: LGPL 2+ */

#ifndef CO_CHEMICAL_ELEMENT_H
#define CO_CHEMICAL_ELEMENT_H

#include <util/coExport.h>
#include <string>
#include <vector>
#include <map>


namespace covise
{

class ALGEXPORT coChemicalElement
{
 public:
   bool valid = false;
   int number = 0;
   std::string name;
   std::string symbol;
   float radius;
   float color[4];
   coChemicalElement();
   coChemicalElement(int number, std::string n, std::string sym, float r, float re, float g, float b);
   coChemicalElement(const coChemicalElement &ce);
};

class ALGEXPORT coAtomInfo
{

 public:
   static coAtomInfo* instance();
   int getType(const std::string &type);
   float getRadius(int type);
   void getColor(int type, float (&color)[4]);
   std::vector<coChemicalElement> all;
   std::map<std::string, int> idMap;


 private:
   coAtomInfo();
   static bool initialized;
   static const int numStaticAtoms = 118;
   static coChemicalElement allStatic[numStaticAtoms];

   static coAtomInfo* myInstance;
};

}
#endif