| 306 |
|
|
| 307 |
|
for( i=0; i<nAtoms; i++ ){ |
| 308 |
|
|
| 309 |
< |
myTypeString = the_atoms[i]->getType(); |
| 309 |
> |
myTypeString = the_atoms[i]->getType().c_str(); |
| 310 |
|
iter = atomTypeMap.find(myTypeString); |
| 311 |
|
|
| 312 |
|
if (iter == atomTypeMap.end()) { |
| 313 |
|
sprintf( painCave.errMsg, |
| 314 |
|
"AtomType error, %s not found in force file.\n", |
| 315 |
< |
the_atoms[i]->getType() ); |
| 315 |
> |
the_atoms[i]->getType().c_str() ); |
| 316 |
|
painCave.isFatal = 1; |
| 317 |
|
simError(); |
| 318 |
|
} else { |
| 336 |
|
|
| 337 |
|
dat = (DirectionalAtomType*)at; |
| 338 |
|
dAtom = (DirectionalAtom *) the_atoms[i]; |
| 339 |
< |
|
| 339 |
> |
|
| 340 |
|
momInt = dat->getI(); |
| 341 |
|
|
| 342 |
|
// zero out the moments of inertia matrix |
| 464 |
|
} |
| 465 |
|
} |
| 466 |
|
} |
| 467 |
+ |
shapeFile.getline(inLine, MAXLEN); |
| 468 |
|
} |
| 469 |
|
|
| 470 |
|
// now grab the contact functions |
| 506 |
|
} |
| 507 |
|
} |
| 508 |
|
} |
| 509 |
+ |
shapeFile.getline(inLine, MAXLEN); |
| 510 |
|
} |
| 511 |
|
|
| 512 |
|
// pass contact functions to ShapeType |
| 552 |
|
} |
| 553 |
|
} |
| 554 |
|
} |
| 555 |
+ |
shapeFile.getline(inLine, MAXLEN); |
| 556 |
|
} |
| 557 |
|
|
| 558 |
|
// pass range functions to ShapeType |
| 597 |
|
} |
| 598 |
|
} |
| 599 |
|
} |
| 600 |
+ |
shapeFile.getline(inLine, MAXLEN); |
| 601 |
|
} |
| 602 |
|
|
| 603 |
|
// pass strength functions to ShapeType |
