# | 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; | |
# | Line 42 | Line 42 | void Atom::setCoords(void){ | |
42 | ||
43 | if( myConfig->isAllocated() ){ | |
44 | ||
45 | + | |
46 | myConfig->getAtomPointers( index, | |
47 | &pos, | |
48 | &vel, | |
# | Line 54 | Line 55 | void Atom::setCoords(void){ | |
55 | else{ | |
56 | sprintf( painCave.errMsg, | |
57 | "Attempted to set Atom %d coordinates with an unallocated " | |
58 | < | "SimState object.\n" ); |
58 | > | "SimState object.\n", index ); |
59 | painCave.isFatal = 1; | |
60 | simError(); | |
61 | } |
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