48 |
|
&trq, |
49 |
|
&Amat, |
50 |
|
&mu, |
51 |
< |
&ul, |
52 |
< |
&rc, |
53 |
< |
&massRatio); |
51 |
> |
&ul); |
52 |
|
} |
53 |
|
else{ |
54 |
|
sprintf( painCave.errMsg, |
183 |
|
} |
184 |
|
} |
185 |
|
|
188 |
– |
void Atom::getRc(double theRc[3]){ |
189 |
– |
|
190 |
– |
if( hasCoords ){ |
191 |
– |
theRc[0] = rc[offsetX]; |
192 |
– |
theRc[1] = rc[offsetY]; |
193 |
– |
theRc[2] = rc[offsetZ]; |
194 |
– |
} |
195 |
– |
else{ |
196 |
– |
|
197 |
– |
sprintf( painCave.errMsg, |
198 |
– |
"Attempt to get rc for atom %d before coords set.\n", |
199 |
– |
index ); |
200 |
– |
painCave.isFatal = 1; |
201 |
– |
simError(); |
202 |
– |
} |
203 |
– |
|
204 |
– |
} |
205 |
– |
|
206 |
– |
void Atom::setRc(double theRc[3]){ |
207 |
– |
if( hasCoords ){ |
208 |
– |
rc[offsetX] = theRc[0] ; |
209 |
– |
rc[offsetY] = theRc[1]; |
210 |
– |
rc[offsetZ] = theRc[2]; |
211 |
– |
} |
212 |
– |
else{ |
213 |
– |
|
214 |
– |
sprintf( painCave.errMsg, |
215 |
– |
"Attempt to set rc for atom %d before coords set.\n", |
216 |
– |
index ); |
217 |
– |
painCave.isFatal = 1; |
218 |
– |
} |
219 |
– |
} |