| 177 |
|
} |
| 178 |
|
|
| 179 |
|
//below code still have some kind of hard-coding smell |
| 180 |
< |
if (stamp->haveOrientation()){ |
| 181 |
< |
DirectionalAtom* dAtom; |
| 182 |
< |
double phi; |
| 183 |
< |
double theta; |
| 184 |
< |
double psi; |
| 185 |
< |
|
| 180 |
> |
if (atomType->isDirectional()){ |
| 181 |
> |
|
| 182 |
|
DirectionalAtomType* dAtomType = dynamic_cast<DirectionalAtomType*>(atomType); |
| 183 |
+ |
|
| 184 |
|
if (dAtomType == NULL) { |
| 185 |
|
sprintf(painCave.errMsg, "Can not cast AtomType to DirectionalAtomType"); |
| 186 |
|
|
| 187 |
|
painCave.isFatal = 1; |
| 188 |
|
simError(); |
| 189 |
|
} |
| 193 |
– |
|
| 194 |
– |
dAtom = new DirectionalAtom(dAtomType); |
| 190 |
|
|
| 191 |
< |
// Directional Atoms have standard unit vectors which are oriented |
| 192 |
< |
// in space using the three Euler angles. We assume the standard |
| 198 |
< |
// unit vector was originally along the z axis below. |
| 199 |
< |
|
| 200 |
< |
phi = stamp->getEulerPhi() * M_PI / 180.0; |
| 201 |
< |
theta = stamp->getEulerTheta() * M_PI / 180.0; |
| 202 |
< |
psi = stamp->getEulerPsi()* M_PI / 180.0; |
| 203 |
< |
|
| 204 |
< |
dAtom->setUnitFrameFromEuler(phi, theta, psi); |
| 191 |
> |
DirectionalAtom* dAtom; |
| 192 |
> |
dAtom = new DirectionalAtom(dAtomType); |
| 193 |
|
atom = dAtom; |
| 194 |
|
} |
| 195 |
|
else{ |
