ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE/libmdtools/GenericData.hpp
(Generate patch)

Comparing trunk/OOPSE/libmdtools/GenericData.hpp (file contents):
Revision 1117 by tim, Wed Mar 17 14:22:59 2004 UTC vs.
Revision 1118 by tim, Mon Apr 19 03:52:27 2004 UTC

# Line 113 | Line 113 | class DoubleArrayData : public GenericData{
113   protected:
114     vector<double> data;
115   };
116 +
117 + struct AtomInfo : public GenericData{
118 +  public:
119 +    string AtomType;
120 +    double pos[3];
121 +    double dipole[3];  
122 + };
123 +
124 + class AtomData : public GenericData{
125 +  public:
126 +    ~AtomData();
127 +    void addAtomInfo(AtomInfo* info) {data.push_back(info);}
128 +    void clearAllAtomInfo();
129 +    AtomInfo* beginAtomInfo(vector<AtomInfo*>::iterator& i){
130 +      i = data.begin();
131 +      return i != data.end()? *i : NULL;
132 +    }
133 +    AtomInfo* nextAtomInfo(vector<AtomInfo*>::iterator& i){
134 +      i++;
135 +      return i != data.end()? *i: NULL;
136 +    }
137 +    vector<AtomInfo*> getData() {return data;}
138 +    int getSize() {return data.size();}
139 +  protected:
140 +    vector<AtomInfo*> data;
141 + };
142 +
143 +
144 +
145   #endif

Diff Legend

Removed lines
+ Added lines
< Changed lines
> Changed lines