gromacs/fileformats/blocks.py
def renumber_atoms(self):
        """Reset the molecule's atoms :attr:`number` to be 1-indexed"""
        if self.atoms:

            # reset the mapping
            self._anumb_to_atom = {}

            for i,atom in enumerate(self.atoms):
                atom.number = i+1   # starting from 1

        else:
            self.logger("the number of atoms is zero - no renumbering")
def renumber_atoms(self):
        """Reset the molecule's atoms :attr:`number` to be 1-indexed"""
        if self.atoms:

            # reset the mapping
            self._anumb_to_atom = {}

            for i,atom in enumerate(self.atoms):
                atom.number = i+1   # starting from 1

        else:
            self.logger("the number of atoms is zero - no renumbering")
def renumber_atoms ( self ) : if self . atoms : # reset the mapping self . _anumb_to_atom = { } for i , atom in enumerate ( self . atoms ) : atom . number = i + 1 # starting from 1 else : self . logger ( "the number of atoms is zero - no renumbering" )
Reset the molecule's atoms :attr:`number` to be 1-indexed
Reset the molecule s atoms : attr : number to be 1 - indexed