# | Line 29 | Line 29 | class SimSetup{ (private) | |
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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 |
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