ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/branches/development/src/visitors/ReplacementVisitor.hpp
(Generate patch)

Comparing branches/development/src/visitors/ReplacementVisitor.hpp (file contents):
Revision 1633 by gezelter, Wed Sep 14 21:15:17 2011 UTC vs.
Revision 1634 by gezelter, Thu Sep 15 14:04:51 2011 UTC

# Line 82 | Line 82 | namespace OpenMD {
82    public:
83      SSDAtomVisitor(SimInfo* info) : ReplacementVisitor(info) {
84        visitorName = "SSDAtomVisitor";
85 <
85 >      
86        /// these are the atom names we can replace with a fixed structure
87        addReplacedAtomName("SSD");
88        addReplacedAtomName("SSD_E");
# Line 90 | Line 90 | namespace OpenMD {
90        addReplacedAtomName("SSD1");
91        addReplacedAtomName("TAP");
92        addReplacedAtomName("TRED");
93 <
93 >      
94        // this is the reference structure we'll use for the replacement:
95        addSite("H", Vector3d(0.0, -0.75695, 0.5206));
96        addSite("H", Vector3d(0.0,  0.75695, 0.5206));
# Line 98 | Line 98 | namespace OpenMD {
98        addSite("X", Vector3d(0.0,  0.0,     0.0   ), Vector3d(0,0,1));
99      }
100    };
101 <
101 >  
102    class GBtailVisitor : public ReplacementVisitor{
103    public:
104      GBtailVisitor(SimInfo* info) : ReplacementVisitor(info) {
# Line 106 | Line 106 | namespace OpenMD {
106        
107        
108        /// these are the atom names we can replace with a fixed structure
109 <        addReplacedAtomName("GBtail");
110 <        
111 <        // this is the reference structure we'll use for the replacement:
112 <        addSite("C", Vector3d(0.0, 0.0, 9.0));
113 <        addSite("C", Vector3d(0.0, 0.0, 0.0));
114 <        addSite("C", Vector3d(0.0, 0.0, -9.0));
109 >      addReplacedAtomName("GBtail");
110 >      
111 >      // this is the reference structure we'll use for the replacement:
112 >      addSite("C", Vector3d(0.0, 0.0, 9.0));
113 >      addSite("C", Vector3d(0.0, 0.0, 0.0));
114 >      addSite("C", Vector3d(0.0, 0.0, -9.0));
115      }
116    };  
117    
# Line 121 | Line 121 | namespace OpenMD {
121        visitorName = "GBheadVisitor";
122        
123        /// these are the atom names we can replace with a fixed structure
124 <        addReplacedAtomName("GBhead");
125 <        
126 <        // this is the reference structure we'll use for the replacement:
127 <        addSite("N", Vector3d(0.0, 0.0, 3.5));
128 <        addSite("C", Vector3d(0.0, 0.0, 0.0));
129 <        addSite("P", Vector3d(0.0, 0.0, -3.5));
124 >      addReplacedAtomName("GBhead");
125 >      
126 >      // this is the reference structure we'll use for the replacement:
127 >      addSite("N", Vector3d(0.0, 0.0, 3.5));
128 >      addSite("C", Vector3d(0.0, 0.0, 0.0));
129 >      addSite("P", Vector3d(0.0, 0.0, -3.5));
130      }
131 <  };  
132 <
133 <  
131 >  };      
132   }//namespace OpenMD
133   #endif

Diff Legend

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