def angl_rot(self,angl_tup,angl_rot_val): assert len(angl_tup)==3 t1,t2,t3=angl_tup u=uangl(self._rl[t1],self._rl[t2],self._rl[t3]) bsl=self.calc_bsplit(t1,t2) for ai in bsl: delr=rotu(self._rl[ai]-self._rl[t2],u,angl_rot_val) self._rl[ai]=self._rl[t2]+delr
def diha_rot(self,diha_tup,diha_rot_val): assert len(diha_tup)==4 #self.set_conn() t1,t2,t3,t4=diha_tup u=norm_vec(self._rl[t2],self._rl[t3]) bsl=self.calc_bsplit(t2,t3) for ai in bsl: delr=rotu(self._rl[ai]-self._rl[t2],u,diha_rot_val) self._rl[ai]=self._rl[t2]+delr