--- trunk/src/lattice/shapedLattice.cpp 2006/03/27 16:03:50 919 +++ trunk/src/lattice/shapedLattice.cpp 2006/05/17 21:51:42 963 @@ -42,7 +42,7 @@ * * Created by Charles F. Vardeman II on 17 Feb 2006. * @author Charles F. Vardeman II - * @version $Id: shapedLattice.cpp,v 1.2 2006-03-27 16:03:50 chuckv Exp $ + * @version $Id: shapedLattice.cpp,v 1.4 2006-05-17 21:51:42 tim Exp $ * */ @@ -53,7 +53,7 @@ namespace oopse{ #include "lattice/LatticeFactory.hpp" namespace oopse{ - shapedLattice::shapedLattice(double latticeConstant, + shapedLattice::shapedLattice(RealType latticeConstant, std::string latticeType) { latticeConstant_ = latticeConstant; latticeType_ = latticeType; @@ -65,7 +65,7 @@ namespace oopse{ } //Set the lattice constant - std::vector lc; + std::vector lc; lc.push_back(latticeConstant_); simpleLattice_->setLatticeConstant(lc); } @@ -88,6 +88,8 @@ namespace oopse{ std::vector shapedLattice::getPoints(){ std::vector latticePos; + + std::vector pointsOrt = simpleLattice_->getLatticePointsOrt(); int numMolPerCell = simpleLattice_->getNumSitesPerCell(); for(int i = beginNx_; i < endNx_; i++) { for(int j = beginNy_; j < endNy_; j++) { @@ -100,7 +102,9 @@ namespace oopse{ if (isInterior(latticePos[l])){ Vector3d myPoint = latticePos[l]; + Vector3d myOrt = pointsOrt[l]; coords_.push_back(myPoint); + coordsOrt_.push_back(myOrt); } } }