162 |
|
|
163 |
|
atomType = ff->getAtomType(stamp->getType()); |
164 |
|
|
165 |
< |
if (bondType == NULL) { |
165 |
> |
if (atomType == NULL) { |
166 |
|
sprintf(painCave.errMsg, "Can not find Matching Atom Type for[%s]", |
167 |
|
stamp->getType()); |
168 |
|
|
176 |
|
double phi; |
177 |
|
double theta; |
178 |
|
double psi; |
179 |
+ |
|
180 |
+ |
DirectionalAtomType* dAtomType = dynamic_cast<DirectionalAtomType*>(atomType); |
181 |
+ |
if (dAtomType == NULL) { |
182 |
+ |
sprintf(painCave.errMsg, "Can not cast AtomType to DirectionalAtomType"); |
183 |
+ |
|
184 |
+ |
painCave.isFatal = 1; |
185 |
+ |
simError(); |
186 |
+ |
} |
187 |
|
|
188 |
< |
dAtom = new DirectionalAtom(atomType); |
188 |
> |
dAtom = new DirectionalAtom(dAtomType); |
189 |
|
|
190 |
|
// Directional Atoms have standard unit vectors which are oriented |
191 |
|
// in space using the three Euler angles. We assume the standard |