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root/OpenMD/branches/development/src/primitives/Molecule.hpp
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Comparing trunk/src/primitives/Molecule.hpp (file contents):
Revision 1275 by cli2, Fri Jul 4 20:54:29 2008 UTC vs.
Revision 1360 by cli2, Mon Sep 7 16:31:51 2009 UTC

# Line 60 | Line 60
60   #include "primitives/Torsion.hpp"
61   #include "primitives/Inversion.hpp"
62   #include "primitives/CutoffGroup.hpp"
63 + #include "utils/PropertyMap.hpp"
64  
65   namespace oopse{
66  
# Line 303 | Line 304 | namespace oopse{
304        ++i;
305        return (i == constraintElems_.end()) ? NULL : *i;    
306      }
307 <    
307 >        
308      /**
309       * Returns the total potential energy of short range interaction
310       * of this molecule
# Line 327 | Line 328 | namespace oopse{
328      }
329          
330      friend std::ostream& operator <<(std::ostream& o, Molecule& mol);
331 +
332 +    //below functions are just forward functions
333 +    /**
334 +     * Adds property into property map
335 +     * @param genData GenericData to be added into PropertyMap
336 +     */
337 +    void addProperty(GenericData* genData);
338 +
339 +    /**
340 +     * Removes property from PropertyMap by name
341 +     * @param propName the name of property to be removed
342 +     */
343 +    void removeProperty(const std::string& propName);
344 +
345 +    /**
346 +     * clear all of the properties
347 +     */
348 +    void clearProperties();
349 +
350 +    /**
351 +     * Returns all names of properties
352 +     * @return all names of properties
353 +     */
354 +    std::vector<std::string> getPropertyNames();
355 +
356 +    /**
357 +     * Returns all of the properties in PropertyMap
358 +     * @return all of the properties in PropertyMap
359 +     */      
360 +    std::vector<GenericData*> getProperties();
361 +
362 +    /**
363 +     * Returns property
364 +     * @param propName name of property
365 +     * @return a pointer point to property with propName. If no property named propName
366 +     * exists, return NULL
367 +     */      
368 +    GenericData* getPropertyByName(const std::string& propName);
369      
370    private:
371      
# Line 344 | Line 383 | namespace oopse{
383      std::vector<ConstraintElem*> constraintElems_;
384      int stampId_;
385      std::string moleculeName_;
386 +    PropertyMap properties_;
387 +
388    };
389  
390   } //namespace oopse

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