--- trunk/src/applications/hydrodynamics/ShapeBuilder.cpp 2006/04/25 13:35:42 946 +++ trunk/src/applications/hydrodynamics/ShapeBuilder.cpp 2008/01/16 20:19:28 1208 @@ -39,8 +39,8 @@ * such damages. */ #include "applications/hydrodynamics/ShapeBuilder.hpp" -#include "applications/hydrodynamics/Spheric.hpp" -#include "applications/hydrodynamics/Ellipsoid.hpp" +#include "hydrodynamics/Sphere.hpp" +#include "hydrodynamics/Ellipsoid.hpp" #include "applications/hydrodynamics/CompositeShape.hpp" namespace oopse { @@ -66,7 +66,7 @@ namespace oopse { if (ljData != NULL) { LJParam ljParam = ljData->getData(); - currShape = new Spheric(atom->getPos(), ljParam.sigma/2.0); + currShape = new Sphere(atom->getPos(), ljParam.sigma/2.0); } else { sprintf( painCave.errMsg, "Can not cast GenericData to LJParam\n"); @@ -78,7 +78,7 @@ namespace oopse { } else { int obanum = etab.GetAtomicNum((atom->getType()).c_str()); if (obanum != 0) { - currShape = new Spheric(atom->getPos(), etab.GetVdwRad(obanum)); + currShape = new Sphere(atom->getPos(), etab.GetVdwRad(obanum)); } else { sprintf( painCave.errMsg, "Could not find atom type in default element.txt\n"); @@ -102,7 +102,8 @@ namespace oopse { if (gayBerneData != NULL) { GayBerneParam gayBerneParam = gayBerneData->getData(); - currShape = new Ellipsoid(datom->getPos(), gayBerneParam.GB_sigma/2.0, gayBerneParam.GB_l2b_ratio*gayBerneParam.GB_sigma/2.0, datom->getA()); + currShape = new Ellipsoid(datom->getPos(), gayBerneParam.GB_l/2.0, + gayBerneParam.GB_d/2.0, datom->getA()); } else { sprintf( painCave.errMsg, "Can not cast GenericData to GayBerneParam\n"); @@ -123,7 +124,7 @@ namespace oopse { if (ljData != NULL) { LJParam ljParam = ljData->getData(); - currShape = new Spheric(datom->getPos(), ljParam.sigma/2.0); + currShape = new Sphere(datom->getPos(), ljParam.sigma/2.0); } else { sprintf( painCave.errMsg, "Can not cast GenericData to LJParam\n"); @@ -134,7 +135,7 @@ namespace oopse { } else { int obanum = etab.GetAtomicNum((datom->getType()).c_str()); if (obanum != 0) { - currShape = new Spheric(datom->getPos(), etab.GetVdwRad(obanum)); + currShape = new Sphere(datom->getPos(), etab.GetVdwRad(obanum)); } else { sprintf( painCave.errMsg, "Could not find atom type in default element.txt\n");