ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/applications/hydrodynamics/RoughShell.hpp
(Generate patch)

Comparing trunk/src/applications/hydrodynamics/RoughShell.hpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 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).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
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   */
42   #ifndef APPLICATION_HYDRODYNAMICS_ROUGHSHELL_HPP
43   #define APPLICATION_HYDRODYNAMICS_ROUGHSHELL_HPP
44  
45   #include "applications/hydrodynamics/ApproximationModel.hpp"
46   #include "applications/hydrodynamics/CompositeShape.hpp"
47 + #include "utils/Grid3d.hpp"
48 +
49   namespace OpenMD {
47 –  /**
48 –   * @class Grid3d
49 –   * A generic 3d grid class
50 –   */
51 –  template<class Elem>
52 –  class Grid3D {
53 –  public:
54 –    Grid3D(unsigned int dim1, unsigned int dim2, unsigned int dim3) : dim1_(dim1), dim2_(dim2), dim3_(dim3) {
55 –      data_.resize(dim1_*dim2_*dim3_);
56 –    }
57 –    Elem& operator ()(unsigned int i, unsigned int j, unsigned int k) {
58 –      int index = isValidGrid(i, j , k);
59 –      assert(index != -1);
60 –      return data_[index];
61 –    }
62 –    
63 –    const Elem& operator () (unsigned int i, unsigned int j, unsigned int k) const {
64 –      int index = isValidGrid(i, j , k);
65 –      assert(index != -1);
66 –      return data_[index];
67 –    }
68 –    
69 –    std::vector<Elem> getAllNeighbors(unsigned int i, unsigned int j, unsigned int k) {
70 –      std::vector<Elem> result;
71 –      int index;
72 –      index = isValidGrid(i-1, j, k);
73 –      if (index != -1)
74 –        result.push_back(data_[index]);
75 –      
76 –      index = isValidGrid(i+1, j, k);
77 –      if (index != -1)
78 –        result.push_back(data_[index]);
79 –      
80 –      index = isValidGrid(i, j-1, k);
81 –      if (index != -1)
82 –        result.push_back(data_[index]);
83 –      
84 –      index = isValidGrid(i, j+1, k);
85 –      if (index != -1)
86 –        result.push_back(data_[index]);
87 –      
88 –      index = isValidGrid(i, j, k-1);
89 –      if (index != -1)
90 –        result.push_back(data_[index]);
91 –      
92 –      index = isValidGrid(i, j, k+1);
93 –      if (index != -1)
94 –        result.push_back(data_[index]);
95 –      
96 –      return result;
97 –    }
98 –  private:
99 –    
100 –    int isValidGrid(unsigned int i, unsigned int j, unsigned int k) const {
101 –      int index = i * dim2_*dim3_ + j * dim3_ + k;
102 –      return index < data_.size() ? index : -1;
103 –    };
104 –    
105 –    unsigned int dim1_;
106 –    unsigned int dim2_;
107 –    unsigned int dim3_;
108 –    std::vector<Elem> data_;
109 –    
110 –  };
50    
112 –  
51    class RoughShell : public ApproximationModel {
52    public:
53      RoughShell(StuntDouble* sd, SimInfo* info);
# Line 117 | Line 55 | namespace OpenMD {
55      void setSigma(RealType sigma) {sigma_ = sigma;}
56      RealType getSigma() {return sigma_;}
57    private:
58 <    virtual bool createBeads(std::vector<BeadParam>& beads);
58 >    virtual bool createBeads(vector<BeadParam>& beads);
59      //StuntDoubleShape sdShape_;
60      RealType sigma_;
61      Shape* shape_;

Comparing trunk/src/applications/hydrodynamics/RoughShell.hpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

# Line 0 | Line 1
1 + Author Id Revision Date

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines