ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/applications/hydrodynamics/ShapeBuilder.cpp
(Generate patch)

Comparing trunk/src/applications/hydrodynamics/ShapeBuilder.cpp (file contents):
Revision 946 by gezelter, Tue Apr 25 13:35:42 2006 UTC vs.
Revision 1208 by xsun, Wed Jan 16 20:19:28 2008 UTC

# Line 39 | Line 39
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    
# Line 66 | Line 66 | namespace oopse {
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");
# Line 78 | Line 78 | namespace oopse {
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");
# Line 102 | Line 102 | namespace oopse {
102          
103          if (gayBerneData != NULL) {  
104            GayBerneParam gayBerneParam = gayBerneData->getData();
105 <          currShape = new Ellipsoid(datom->getPos(), gayBerneParam.GB_sigma/2.0, gayBerneParam.GB_l2b_ratio*gayBerneParam.GB_sigma/2.0, datom->getA());
105 >          currShape = new Ellipsoid(datom->getPos(), gayBerneParam.GB_l/2.0,
106 >                                    gayBerneParam.GB_d/2.0, datom->getA());
107          } else {
108            sprintf( painCave.errMsg,
109                     "Can not cast GenericData to GayBerneParam\n");
# Line 123 | Line 124 | namespace oopse {
124          
125          if (ljData != NULL) {
126            LJParam ljParam = ljData->getData();
127 <          currShape = new Spheric(datom->getPos(), ljParam.sigma/2.0);
127 >          currShape = new Sphere(datom->getPos(), ljParam.sigma/2.0);
128          } else {
129            sprintf( painCave.errMsg,
130                     "Can not cast GenericData to LJParam\n");
# Line 134 | Line 135 | namespace oopse {
135        } else {
136          int obanum = etab.GetAtomicNum((datom->getType()).c_str());
137          if (obanum != 0) {
138 <          currShape = new Spheric(datom->getPos(), etab.GetVdwRad(obanum));
138 >          currShape = new Sphere(datom->getPos(), etab.GetVdwRad(obanum));
139          } else {
140            sprintf( painCave.errMsg,
141                     "Could not find atom type in default element.txt\n");

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines