Press n or j to go to the next uncovered block, b, p or k for the previous block.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 | 576438x 576438x 576438x 576438x 576438x 576438x 331329x 331329x 331329x 246438x 246438x 246438x 201902x 201902x 201902x 112087x 102118x 102118x | import { bondLength } from "./bondLength"; /* * return true if atom1 and atom2 are probably bonded to each other based on distance alone */ export function areConnected(atom1, atom2) { var maxsq = bondLength(atom1.elem) + bondLength(atom2.elem); maxsq += 0.25; // fudge factor, especially important for md frames, also see 1i3d maxsq *= maxsq; var xdiff = atom1.x - atom2.x; xdiff *= xdiff; if (xdiff > maxsq) return false; var ydiff = atom1.y - atom2.y; ydiff *= ydiff; if (ydiff > maxsq) return false; var zdiff = atom1.z - atom2.z; zdiff *= zdiff; if (zdiff > maxsq) return false; var distSquared = xdiff + ydiff + zdiff; Iif (isNaN(distSquared)) return false; else if (distSquared < 0.5) return false; // maybe duplicate position. else if (distSquared > maxsq) return false; else Iif ( atom1.altLoc != atom2.altLoc && atom1.altLoc != " " && atom2.altLoc != " " ) return false; // don't connect across alternate locations else return true; } |