| # | Line 9 | Line 9 | Atom::Atom(int theIndex, SimState* theConfig) { | |
|---|---|---|
| 9 | ||
| 10 | myConfig = theConfig; | |
| 11 | hasCoords = false; | |
| 12 | < | |
| 12 | > | |
| 13 | c_n_hyd = 0; | |
| 14 | has_dipole = 0; | |
| 15 | is_VDW = 0; | |
| 16 | is_LJ = 0; | |
| 17 | + | is_charged = 0; |
| 18 | ||
| 19 | index = theIndex; | |
| 20 | offset = 0; | |
| # | Line 42 | Line 43 | void Atom::setCoords(void){ | |
| 43 | ||
| 44 | if( myConfig->isAllocated() ){ | |
| 45 | ||
| 46 | + | |
| 47 | myConfig->getAtomPointers( index, | |
| 48 | &pos, | |
| 49 | &vel, | |
| # | Line 54 | Line 56 | void Atom::setCoords(void){ | |
| 56 | else{ | |
| 57 | sprintf( painCave.errMsg, | |
| 58 | "Attempted to set Atom %d coordinates with an unallocated " | |
| 59 | < | "SimState object.\n" ); |
| 59 | > | "SimState object.\n", index ); |
| 60 | painCave.isFatal = 1; | |
| 61 | simError(); | |
| 62 | } | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |