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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 | 5x 4722x 4722x 9588x 9588x 9588x 9588x 9585x 9585x | //make sure bonds are actually two way export function validateBonds (atomsarray, serialToIndex) { for (var i = 0, n = atomsarray.length; i < n; i++) { var atom = atomsarray[i]; for(var b = 0; b < atom.bonds.length; b++) { var a2i = atom.bonds[b]; var atom2 = atomsarray[a2i]; var atomi = serialToIndex[atom.serial]; if(atom2 && atomi) { var a1i = atom2.bonds.indexOf(atomi); Iif(a1i < 0) { atom2.bonds.push(atomi); atom2.bondOrder.push(atom.bondOrder[b]); } } } } }; |