111 |
|
painCave.isFatal = 1; |
112 |
|
simError(); |
113 |
|
} |
114 |
+ |
}else if (atomType->isLennardJones()){ |
115 |
+ |
GenericData* data = atomType->getPropertyByName("LennardJones"); |
116 |
+ |
if (data != NULL) { |
117 |
+ |
LJParamGenericData* ljData = dynamic_cast<LJParamGenericData*>(data); |
118 |
+ |
|
119 |
+ |
if (ljData != NULL) { |
120 |
+ |
LJParam ljParam = ljData->getData(); |
121 |
+ |
currShape = new Spheric(datom->getPos(), ljParam.sigma/2.0); |
122 |
+ |
} else { |
123 |
+ |
sprintf( painCave.errMsg, |
124 |
+ |
"Can not cast GenericData to LJParam\n"); |
125 |
+ |
painCave.severity = OOPSE_ERROR; |
126 |
+ |
painCave.isFatal = 1; |
127 |
+ |
simError(); |
128 |
+ |
} |
129 |
+ |
} |
130 |
+ |
|
131 |
|
} |
132 |
|
return currShape; |
133 |
|
} |