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root/OpenMD/trunk/src/utils/Accumulator.hpp
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Comparing trunk/src/utils/Accumulator.hpp (file contents):
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

# Line 35 | Line 35
35   *                                                                      
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 < * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39   * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40   * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
# Line 49 | Line 49 | namespace OpenMD {
49  
50   namespace OpenMD {
51  
52 +
53 +  class BaseAccumulator {
54 +  public:
55 +    virtual void clear() = 0;
56 +    /**
57 +     * get the number of accumulated values
58 +     */
59 +    virtual size_t count()  {
60 +      return Count_;
61 +    }
62 +  protected:
63 +    size_t Count_;
64 +
65 +  };  
66 +
67 +
68 +
69    /**
70     * Basic Accumulator class for numbers.
71 <   */
72 <  
56 <  class Accumulator {    
71 >   */  
72 >  class Accumulator : public BaseAccumulator {    
73  
74      typedef RealType ElementType;
75      typedef RealType ResultType;
76  
77    public:
78      
79 <    Accumulator() {
79 >    Accumulator() : BaseAccumulator() {
80        this->clear();
81      }
82  
# Line 91 | Line 107 | namespace OpenMD {
107        Val_   = 0;
108      }
109      
94 –    /**
95 –     * get the number of accumulated values
96 –     */
97 –    size_t count()  {
98 –      return Count_;
99 –    }
110  
111      /**
112       * return the most recently added value
# Line 153 | Line 163 | namespace OpenMD {
163        return;
164      }
165  
156 –  protected:
157 –    size_t Count_;
166    private:
167      ElementType Val_;
168      ResultType Avg_;
# Line 163 | Line 171 | namespace OpenMD {
171      ElementType Max_;
172    };
173  
174 <  class VectorAccumulator : public Accumulator {
174 >  class VectorAccumulator : public BaseAccumulator {
175      
176      typedef Vector3d ElementType;
177      typedef Vector3d ResultType;
178      
179    public:
180 <    VectorAccumulator() : Accumulator() {
180 >    VectorAccumulator() : BaseAccumulator() {
181        this->clear();
182      }
183  
# Line 297 | Line 305 | namespace OpenMD {
305        ret = sqrt(var);
306        return;
307      }
308 <        
301 <  protected:
302 <    size_t Count_;
308 >
309    private:
310      ResultType Val_;
311      ResultType Avg_;
# Line 311 | Line 317 | namespace OpenMD {
317  
318    };
319  
320 <  class MatrixAccumulator : public Accumulator {
320 >  class MatrixAccumulator : public BaseAccumulator {
321      
322      typedef Mat3x3d ElementType;
323      typedef Mat3x3d ResultType;
324      
325    public:
326 <    MatrixAccumulator() : Accumulator() {
326 >    MatrixAccumulator() : BaseAccumulator() {
327        this->clear();
328      }
329  
# Line 390 | Line 396 | namespace OpenMD {
396        return;
397      }
398          
393 –  protected:
394 –    size_t Count_;
399    private:
400      ElementType Val_;
401      ResultType Avg_;

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