--- trunk/OOPSE-1.0/utils/sysbuilder/Lattice.cpp	2004/07/28 04:58:20	1423
+++ trunk/OOPSE-1.0/utils/sysbuilder/Lattice.cpp	2004/07/28 18:42:59	1427
@@ -3,9 +3,97 @@ static LatticeCreator<FCCLattice> *FCCLatticeCreator =
 #include "LatticeCreator.hpp"
 
 static LatticeCreator<FCCLattice> *FCCLatticeCreator = new LatticeCreator<FCCLattice>(FCCLatticeType);
-static LatticeCreator<FCCLattice> *BCCLatticeCreator = new LatticeCreator<FCCLattice>(BCCLatticeType);
-static LatticeCreator<FCCLattice> *HCPLatticeCreator = new LatticeCreator<FCCLattice>(HCPCLatticeType);
-static LatticeCreator<FCCLattice> *OrthorhombicLattice = new LatticeCreator<FCCLattice>(OrthorhombicLatticeType);
+//static LatticeCreator<FCCLattice> *BCCLatticeCreator = new LatticeCreator<FCCLattice>(BCCLatticeType);
+//static LatticeCreator<FCCLattice> *HCPLatticeCreator = new LatticeCreator<FCCLattice>(HCPCLatticeType);
+//static LatticeCreator<FCCLattice> *OrthorhombicLattice = new LatticeCreator<FCCLattice>(OrthorhombicLatticeType);
 
+CubicLattice::CubicLattice(){
+  latticeParam = 1.0;
+  
+  cellLen.x = latticeParam;
+  cellLen.y = latticeParam;
+  cellLen.z = latticeParam;
+  
+}
 
+vector<double> CubicLattice::getLatticeConstant(){
+  vector lc;
+  
+  lc.push_back(cellLen.x);
+  return lc;
+}
 
+void CubicLattice::setLatticeConstant(const vector<double>& lc){
+  double latticeParam;
+  
+  if(lc.size() < 1){
+    cerr << "CubicLattice::setLatticeConstant Error: the size of lattice constant vector  is 0" << endl;
+    exit(1);
+  }
+  else if (lc.size() > 1){
+    cerr << "CubicLattice::setLatticeConstant Warning: the size of lattice constant vector  is " << lc.size() << endl;
+  }
+  
+  latticeParam = lc[0];
+  
+  cellLen.x = latticeParam;
+  cellLen.y = latticeParam;
+  cellLen.z = latticeParam;
+  
+  update();
+}
+
+FCCLattice::FCCLattice() : CubicLattice(){
+  nCellSites = 4;
+  cellSitesPos.resize(nCellSites);
+  cellSitesOrt.resize(nCellSites);
+  update();
+
+}
+
+void FCCLattice::update(){
+
+  double cellLenOver2;
+  double oneOverRoot3;
+
+  cellLenOver2  = 0.5 * latticeParam;
+  oneOverRoot3 = 1.0 / sqrt(3.0);
+
+  // Molecule 1
+  cellSitesPos[0].x = 0.0; 
+  cellSitesPos[0].y = 0.0;
+  cellSitesPos[0].z = 0.0;
+  
+   cellSitesOrt[0].x = oneOverRoot3;
+   cellSitesOrt[0].y = oneOverRoot3;
+   cellSitesOrt[0].z = oneOverRoot3;
+
+  // Molecule 2  
+  cellSitesPos[1].x   = 0.0;
+  cellSitesPos[1].y   = cellLenOver2;
+  cellSitesPos[1].z   = cellLenOver2;
+
+  cellSitesOrt[1].x = -oneOverRoot3;
+  cellSitesOrt[1].y = oneOverRoot3;
+  cellSitesOrt[1].z = -oneOverRoot3;
+   
+  // Molecule 3
+  cellSitesPos[2].x   = cellLenOver2;
+  cellSitesPos[2].y   = cellLenOver2;
+  cellSitesPos[2].z   = 0.0;
+
+  cellSitesOrt[2].x = oneOverRoot3;
+  cellSitesOrt[2].y = -oneOverRoot3;
+  cellSitesOrt[2].z = -oneOverRoot3;
+
+  // Molecule 4
+
+  cellSitesPos[3].x   = cellLenOver2;
+  cellSitesPos[3].y   = 0.0;
+  cellSitesPos[3].z   = cellLenOver2;
+
+  cellSitesOrt[3].x = -oneOverRoot3;
+  cellSitesOrt[3].y = oneOverRoot3;
+  cellSitesOrt[3].z = oneOverRoot3;
+}
+