def default_selector(self): sel = SpringShootingSelector(delta_max=1, k_spring=0, initial_guess=self.initial_guess) sel._fw_prob_list = [1.0, 0.0, 0.0] sel._bw_prob_list = [0.0, 0.0, 1.0] sel._total_bias = 1.0 return sel
def setup(self): super(MoverTest, self).setup() sel = SpringShootingSelector(delta_max=1, k_spring=0) sel._fw_prob_list = [1.0, 0.0, 0.0] sel._bw_prob_list = [0.0, 0.0, 1.0] sel._total_bias = 1.0 self.sel = sel self.samp = self.ges.samples[0]
def test_sanity_breaking_total(): sel = SpringShootingSelector(delta_max=1, k_spring=1) sel._total_bias = sum([0, 0, 0]) with pytest.raises(RuntimeError): sel.check_sanity()
def test_sanity_breaking_total_pick(self): sel = SpringShootingSelector(delta_max=1, k_spring=1) sel._total_bias = sum([0, 0, 0]) with pytest.raises(RuntimeError): sel.pick(trajectory=self.mytraj, direction='forward')