def test_struct_like(self):
hp = HydrationParameter()
hp.field = 300
hp.spin_C = 200
hp.ksigma_bulk = 95
hp.T10 = 1
hp.T100 = 2
hp.tcorr_bulk = 50
hp.D_H2O = 3e-10
hp.D_SL = 5e-10
hp.klow_bulk = 350
hp.smax_model = "free"
hp.t1_interp_method = "second_order"
self.assertEqual(hp["field"], hp.field)
self.assertEqual(hp["spin_C"], hp.spin_C)
self.assertEqual(hp["ksigma_bulk"], hp.ksigma_bulk)
self.assertEqual(hp["T10"], hp.T10)
self.assertEqual(hp["T100"], hp.T100)
self.assertEqual(hp["tcorr_bulk"], hp.tcorr_bulk)
self.assertEqual(hp["D_H2O"], hp.D_H2O)
self.assertEqual(hp["D_SL"], hp.D_SL)
self.assertEqual(hp["klow_bulk"], hp.klow_bulk)
self.assertEqual(hp["smax_model"], hp.smax_model)
self.assertEqual(hp["t1_interp_method"], hp.t1_interp_method)
with self.assertRaises(ValueError):
hp.smax_model = "notinlist"
with self.assertRaises(ValueError):
hp.t1_interp_method = "notinlist"
def test_struct_like(self):
hp = HydrationParameter()
hp.field = 300
hp.spin_C = 200
hp.ksigma_bulk = 95
hp.T10 = 1
hp.T100 = 2
hp.tcorr_bulk = 50
hp.D_H2O = 3e-10
hp.D_SL = 5e-10
hp.klow_bulk = 350
hp.smax_model = 'free'
hp.t1_interp_method = 'second_order'
self.assertEqual(hp['field'], hp.field)
self.assertEqual(hp['spin_C'], hp.spin_C)
self.assertEqual(hp['ksigma_bulk'], hp.ksigma_bulk)
self.assertEqual(hp['T10'], hp.T10)
self.assertEqual(hp['T100'], hp.T100)
self.assertEqual(hp['tcorr_bulk'], hp.tcorr_bulk)
self.assertEqual(hp['D_H2O'], hp.D_H2O)
self.assertEqual(hp['D_SL'], hp.D_SL)
self.assertEqual(hp['klow_bulk'], hp.klow_bulk)
self.assertEqual(hp['smax_model'], hp.smax_model)
self.assertEqual(hp['t1_interp_method'], hp.t1_interp_method)
with self.assertRaises(ValueError):
hp.smax_model = 'notinlist'
with self.assertRaises(ValueError):
hp.t1_interp_method = 'notinlist'
def set_par(ppar: ProcParameter, hpar: HydrationParameter):
"""Prompt for users to choose parameters
Returns: tuple(ProcParameter, HydrationParameter)
"""
# Defaults
ppar.eiw = 20
hpar.field = 348.5
hpar.t1_interp_method = 'second_order'
# st.sidebar.markdown('**Experiments**')
hpar.spin_C = st.sidebar.number_input("Spin label concentration (uM)",
min_value=0.01,
value=500.0,
step=1.0,
key='spin_C')
hpar.T100 = st.sidebar.number_input("T1,0(0) (s)",
min_value=0.1,
max_value=3.0,
value=2.5,
step=0.05,
key='t100')
hpar.smax_model = st.sidebar.radio('The spin is ',
options=['tethered', 'free'],
key='smax_model')
if st.sidebar.checkbox("More"):
ppar.eiw = st.sidebar.number_input("Integration Width",
min_value=10,
max_value=500,
value=20,
step=10,
key='eiw')
hpar.field = st.sidebar.number_input("Field (mT)",
value=348.5,
step=1.0,
key='field')
hpar.t1_interp_method = st.sidebar.radio(
'T1 interpolation method',
options=['linear', 'second_order'],
index=1,
key='t1_interp_method')
return ppar, hpar