def atomAtPosition(self,position): """Returns the atom at the position if one exists, None otherwise""" if self.positionIsInCell(position): positionList = [] for atom in self.Atoms: positionList.append(atom.getPosition()) closest = self.Atoms[SymmetryUtilities.nearestSiteIndex(positionList,position)] if SymmetryUtilities.equalPositions(closest.getPosition(), position): return closest return None
def atomAtPosition(self, position): """Returns the atom at the position if one exists, None otherwise""" if self.positionIsInCell(position): positionList = [] tmpAtoms = [] for num, atom in self.atoms.items(): tmpAtoms.append(atom) positionList.append(atom.getPosition()) closest = tmpAtoms[SymmetryUtilities.nearestSiteIndex( positionList, position)] if SymmetryUtilities.equalPositions(closest.getPosition(), position): return closest return None