thick_heads = 11.057
if lipid == 'dlpc':
vols = [330., 667.]
if lipid == 'dmpg':
vols = [330., 779.]
if lipid == 'dmpc':
vols = [330., 779.]
if lipid == 'dppc':
vols = [330., 891.]
tail_length = 1.54 + 1.265 * length
lipid1 = mv.VolMono(head_sl,
thick_heads,
tail_sl,
tail_length,
vols,
reverse_monolayer=True,
name='{}1'.format(lipid))
lipid2 = mv.VolMono(head_sl,
thick_heads,
tail_sl,
tail_length,
vols,
reverse_monolayer=True,
name='{}2'.format(lipid))
lipid3 = mv.VolMono(head_sl,
thick_heads,
tail_sl,
tail_length,
vols,
elif cont[i][:1] == 'h':
head = {"C": 10, "H": 18, "O": 8, "N": 1, "P": 1}
tail = {"C": t_length * 2, "H": t_length * 4 + 2}
b_head.append(rh.get_scattering_length(head, 1))
b_tail.append(rh.get_scattering_length(tail, 1))
d_h = 8.5
V_h = 339.5
V_t = 1100.0
min_d_t = 9
lipids = []
for i in range(len(cont)):
lipids.append(
mv.VolMono([V_h, V_t], [b_head[i], b_tail[i]],
d_h,
t_length,
name=label))
air = SLD(0, "air")
structures = []
for i in range(len(cont)):
if cont[i][-3:] == 'd2o':
water = SLD(6.35, "d2o")
elif cont[i][-4:] == 'acmw':
water = SLD(0.0, "acmw")
structures.append(air(0, 0) | lipids[i] | water(0, 3.3))
for i in range(len(cont)):
lipids[i].vol[0].setp(vary=False)
lipids[i].vol[1].setp(vary=True, bounds=(V_t * 0.8, V_t * 1.2))
lipids[i].d[0].setp(vary=True, bounds=(5, 12))
head = {'C': 10, 'H': 18, 'O': 8, 'N': 1, 'P': 1}
tail = {'C': length * 2, 'D': length * 4 + 2}
head_sl = mv.get_scattering_length(head, neutron=True)
tail_sl = mv.get_scattering_length(tail, neutron=True)
solvent_sld = [0.43, 3.15]
super_sld = [0, 0]
thick_heads = 13.1117
tail_length = 1.54 + 1.265 * length
vols = [200.497, 891.]
lipid_1 = mv.VolMono(head_sl,
thick_heads,
tail_sl,
tail_length,
vols,
reverse_monolayer=True,
name='{}_1'.format(lipid))
lipid_2 = mv.VolMono(head_sl,
thick_heads,
tail_sl,
tail_length,
vols,
reverse_monolayer=True,
name='{}_2'.format(lipid))
# build the structures
air = SLD(0, '')
des_1 = SLD(solvent_sld[0], '')
des_2 = SLD(solvent_sld[1], '')