Changeset 98a2987 for molecuilder/src/molecule.cpp
- Timestamp:
- Feb 26, 2010, 12:40:52 PM (16 years ago)
- Children:
- e65cc0
- Parents:
- 33bc66
- File:
-
- 1 edited
-
molecuilder/src/molecule.cpp (modified) (1 diff)
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- Unmodified
- Added
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molecuilder/src/molecule.cpp
r33bc66 r98a2987 34 34 first(new bond(start, end, 1, -1)), last(new bond(start, end, 1, -1)), MDSteps(0), AtomCount(0), 35 35 BondCount(0), ElementCount(0), NoNonHydrogen(0), NoNonBonds(0), NoCyclicBonds(0), BondDistance(0.), 36 ActiveFlag(false), IndexNr(-1), last_atom(0), InternalPointer(start), 37 formula(this,boost::bind(&molecule::calcFormula,this)) 36 ActiveFlag(false), IndexNr(-1), 37 formula(this,boost::bind(&molecule::calcFormula,this)), 38 last_atom(0), 39 InternalPointer(start) 38 40 { 39 41 // init atom chain list
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