src/proteingnn/data.py
def _update_atomname2cat(self) -> bool:
        """Update atomname2cat upon change in atom_cats and atomtypes"""
        mis_atomtypes = set()

        if not self._atomtypes:
            return False

        self._atomname2cat = {}
        for key, values in self._atomtypes.items():
            if key not in self._atom_cats:
                mis_atomtypes.add(key)

            for value in values:
                self._atomname2cat[value] = self._atom_cats[key]

        if mis_atomtypes:
            raise KeyError(f'{mis_atomtypes} not found in atom_cats.')

        return True
Update atomname2cat upon change in atom_cats and atomtypes
Update atomname2cat upon change in atom_cats and atomtypes
Update atomname2cat upon change in atom_cats and atomtypes
def _update_atomname2cat(self) -> bool:
        mis_atomtypes = set()
        if not self._atomtypes:
            return False
        self._atomname2cat = {}
        for key, values in self._atomtypes.items():
            if key not in self._atom_cats:
                mis_atomtypes.add(key)
            for value in values:
                self._atomname2cat[value] = self._atom_cats[key]
        if mis_atomtypes:
            raise KeyError(f'{mis_atomtypes} not found in atom_cats.')
        return True
def _update_atomname2cat ( self ) -> bool : mis_atomtypes = set ( ) if not self . _atomtypes : return False self . _atomname2cat = { } for key , values in self . _atomtypes . items ( ) : if key not in self . _atom_cats : mis_atomtypes . add ( key ) for value in values : self . _atomname2cat [ value ] = self . _atom_cats [ key ] if mis_atomtypes : raise KeyError ( f'{mis_atomtypes} not found in atom_cats.' ) return True
Update atomname2cat upon change in atom_cats and atomtypes
Update atomname2cat upon change in atom_cats and atomtypes
"""Update atomname2cat upon change in atom_cats and atomtypes"""
self