Searched refs:n3_at (Results 1 – 1 of 1) sorted by relevance
5132 int n1_at = -1, n2_at = -1, n3_at = -1; in ObjectMoleculeGuessValences() local5197 } else if(n3_at < 0) { in ObjectMoleculeGuessValences()5198 n3_at = atm[i]; in ObjectMoleculeGuessValences()5281 (neighbor[neighbor[n3_at]] >= 2)) { in ObjectMoleculeGuessValences()5300 if((flag1[a] && flag2[n3_at]) || (flag2[a] && flag1[n3_at])) in ObjectMoleculeGuessValences()5302 atomInfo[n3_at].valence = 3; in ObjectMoleculeGuessValences()5303 atomInfo[n3_at].geom = cAtomInfoPlanar; in ObjectMoleculeGuessValences()5304 atomInfo[n3_at].chemFlag = 2; in ObjectMoleculeGuessValences()5313 if((flag1[a] && flag2[n3_at]) || (flag2[a] && flag1[n3_at])) in ObjectMoleculeGuessValences()5315 atomInfo[n3_at].valence = 3; in ObjectMoleculeGuessValences()[all …]