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