Changeset 560995 for molecuilder/src/bond.cpp
- Timestamp:
- Jul 23, 2009, 12:32:48 PM (16 years ago)
- Children:
- f39735
- Parents:
- 307290
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
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molecuilder/src/bond.cpp
r307290 r560995 14 14 bond::bond() 15 15 { 16 17 16 leftatom = NULL; 17 rightatom = NULL; 18 18 previous = NULL; 19 19 next = NULL; 20 21 22 20 nr = -1; 21 HydrogenBond = 0; 22 BondDegree = 0; 23 23 Used = white; 24 24 Cyclic = false; … … 34 34 bond::bond(atom *left, atom *right, int degree=1, int number=0) 35 35 { 36 37 36 leftatom = left; 37 rightatom = right; 38 38 previous = NULL; 39 39 next = NULL; 40 40 HydrogenBond = 0; 41 41 if ((left != NULL) && (right != NULL)) { 42 43 44 45 42 if ((left->type != NULL) && (left->type->Z == 1)) 43 HydrogenBond++; 44 if ((right->type != NULL) && (right->type->Z == 1)) 45 HydrogenBond++; 46 46 } 47 47 BondDegree = degree;
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