--- trunk/src/applications/hydrodynamics/ShapeBuilder.cpp 2006/03/17 23:51:54 907 +++ trunk/src/applications/hydrodynamics/ShapeBuilder.cpp 2006/03/21 00:26:55 909 @@ -97,7 +97,7 @@ Shape* ShapeBuilder::internalCreateShape(DirectionalAt if (gayBerneData != NULL) { GayBerneParam gayBerneParam = gayBerneData->getData(); - currShape = new Ellipsoid(datom->getPos(), gayBerneParam.GB_sigma, gayBerneParam.GB_l2b_ratio, datom->getA()); + currShape = new Ellipsoid(datom->getPos(), gayBerneParam.GB_sigma/2.0, gayBerneParam.GB_l2b_ratio*gayBerneParam.GB_sigma/2.0, datom->getA()); } else { sprintf( painCave.errMsg, "Can not cast GenericData to GayBerneParam\n"); @@ -111,6 +111,23 @@ Shape* ShapeBuilder::internalCreateShape(DirectionalAt painCave.isFatal = 1; simError(); } + }else if (atomType->isLennardJones()){ + GenericData* data = atomType->getPropertyByName("LennardJones"); + if (data != NULL) { + LJParamGenericData* ljData = dynamic_cast(data); + + if (ljData != NULL) { + LJParam ljParam = ljData->getData(); + currShape = new Spheric(datom->getPos(), ljParam.sigma/2.0); + } else { + sprintf( painCave.errMsg, + "Can not cast GenericData to LJParam\n"); + painCave.severity = OOPSE_ERROR; + painCave.isFatal = 1; + simError(); + } + } + } return currShape; }