gromacs/fileformats/blocks.py
def anumb_to_atom(self, anumb):
        '''Returns the atom object corresponding to an atom number'''

        assert isinstance(anumb, int), "anumb must be integer"

        if not self._anumb_to_atom:   # empty dictionary

            if self.atoms:
                for atom in self.atoms:
                    self._anumb_to_atom[atom.number] = atom
                return self._anumb_to_atom[anumb]
            else:
                self.logger("no atoms in the molecule")
                return False

        else:
            if anumb in self._anumb_to_atom:
                return self._anumb_to_atom[anumb]
            else:
                self.logger("no such atom number ({0:d}) in the molecule".format(anumb))
                return False
def anumb_to_atom(self, anumb):
        '''Returns the atom object corresponding to an atom number'''

        assert isinstance(anumb, int), "anumb must be integer"

        if not self._anumb_to_atom:   # empty dictionary

            if self.atoms:
                for atom in self.atoms:
                    self._anumb_to_atom[atom.number] = atom
                return self._anumb_to_atom[anumb]
            else:
                self.logger("no atoms in the molecule")
                return False

        else:
            if anumb in self._anumb_to_atom:
                return self._anumb_to_atom[anumb]
            else:
                self.logger("no such atom number ({0:d}) in the molecule".format(anumb))
                return False
def anumb_to_atom ( self , anumb ) : assert isinstance ( anumb , int ) , "anumb must be integer" if not self . _anumb_to_atom : # empty dictionary if self . atoms : for atom in self . atoms : self . _anumb_to_atom [ atom . number ] = atom return self . _anumb_to_atom [ anumb ] else : self . logger ( "no atoms in the molecule" ) return False else : if anumb in self . _anumb_to_atom : return self . _anumb_to_atom [ anumb ] else : self . logger ( "no such atom number ({0:d}) in the molecule" . format ( anumb ) ) return False
Returns the atom object corresponding to an atom number
Returns the atom object corresponding to an atom number