| 39 |
|
* such damages. |
| 40 |
|
*/ |
| 41 |
|
#include "applications/hydrodynamics/ShapeBuilder.hpp" |
| 42 |
< |
#include "applications/hydrodynamics/Spheric.hpp" |
| 43 |
< |
#include "applications/hydrodynamics/Ellipsoid.hpp" |
| 42 |
> |
#include "hydrodynamics/Sphere.hpp" |
| 43 |
> |
#include "hydrodynamics/Ellipsoid.hpp" |
| 44 |
|
#include "applications/hydrodynamics/CompositeShape.hpp" |
| 45 |
|
namespace oopse { |
| 46 |
|
|
| 66 |
|
|
| 67 |
|
if (ljData != NULL) { |
| 68 |
|
LJParam ljParam = ljData->getData(); |
| 69 |
< |
currShape = new Spheric(atom->getPos(), ljParam.sigma/2.0); |
| 69 |
> |
currShape = new Sphere(atom->getPos(), ljParam.sigma/2.0); |
| 70 |
|
} else { |
| 71 |
|
sprintf( painCave.errMsg, |
| 72 |
|
"Can not cast GenericData to LJParam\n"); |
| 78 |
|
} else { |
| 79 |
|
int obanum = etab.GetAtomicNum((atom->getType()).c_str()); |
| 80 |
|
if (obanum != 0) { |
| 81 |
< |
currShape = new Spheric(atom->getPos(), etab.GetVdwRad(obanum)); |
| 81 |
> |
currShape = new Sphere(atom->getPos(), etab.GetVdwRad(obanum)); |
| 82 |
|
} else { |
| 83 |
|
sprintf( painCave.errMsg, |
| 84 |
|
"Could not find atom type in default element.txt\n"); |
| 123 |
|
|
| 124 |
|
if (ljData != NULL) { |
| 125 |
|
LJParam ljParam = ljData->getData(); |
| 126 |
< |
currShape = new Spheric(datom->getPos(), ljParam.sigma/2.0); |
| 126 |
> |
currShape = new Sphere(datom->getPos(), ljParam.sigma/2.0); |
| 127 |
|
} else { |
| 128 |
|
sprintf( painCave.errMsg, |
| 129 |
|
"Can not cast GenericData to LJParam\n"); |
| 134 |
|
} else { |
| 135 |
|
int obanum = etab.GetAtomicNum((datom->getType()).c_str()); |
| 136 |
|
if (obanum != 0) { |
| 137 |
< |
currShape = new Spheric(datom->getPos(), etab.GetVdwRad(obanum)); |
| 137 |
> |
currShape = new Sphere(datom->getPos(), etab.GetVdwRad(obanum)); |
| 138 |
|
} else { |
| 139 |
|
sprintf( painCave.errMsg, |
| 140 |
|
"Could not find atom type in default element.txt\n"); |