| # | Line 29 | Line 29 | class SimSetup{ (private) | |
|---|---|---|
| 29 | ||
| 30 | void makeMolecules( void ); | |
| 31 | ||
| 32 | – | void makeAtoms( void ); |
| 33 | – | void makeBonds( void ); |
| 34 | – | void makeBends( void ); |
| 35 | – | void makeTorsions( void ); |
| 36 | – | |
| 32 | void initFromBass( void ); | |
| 33 | void makeElement( double x, double y, double z ); | |
| 34 | ||
| # | Line 60 | Line 55 | class SimSetup{ (private) | |
| 55 | ||
| 56 | Atom** the_atoms; | |
| 57 | SRI** the_sris; | |
| 58 | < | int *the_excludes; |
| 58 | > | Exclude** the_excludes; |
| 59 | Molecule* the_molecules; | |
| 60 | ForceFields* the_ff; | |
| 61 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |