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Lines changed: 23 additions & 19 deletions

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pybromo/timestamps.py

Lines changed: 23 additions & 19 deletions
Original file line numberDiff line numberDiff line change
@@ -41,6 +41,7 @@ def merge_da(ts_d, ts_par_d, ts_a, ts_par_a):
4141
# Timestamp simulation definitions
4242
#
4343

44+
4445
def em_rates_from_E_DA(em_rate_tot, E_values):
4546
"""Donor and Acceptor emission rates from total emission rate and E (FRET).
4647
"""
@@ -49,12 +50,14 @@ def em_rates_from_E_DA(em_rate_tot, E_values):
4950
em_rates_d = em_rate_tot - em_rates_a
5051
return em_rates_d, em_rates_a
5152

53+
5254
def em_rates_from_E_unique(em_rate_tot, E_values):
5355
"""Array of unique emission rates for given total emission and E (FRET).
5456
"""
5557
em_rates_d, em_rates_a = em_rates_from_E_DA(em_rate_tot, E_values)
5658
return np.unique(np.hstack([em_rates_d, em_rates_a]))
5759

60+
5861
def em_rates_from_E_DA_mix(em_rates_tot, E_values):
5962
"""D and A emission rates for two populations.
6063
"""
@@ -65,6 +68,7 @@ def em_rates_from_E_DA_mix(em_rates_tot, E_values):
6568
em_rates_a.append(em_rate_ai)
6669
return em_rates_d, em_rates_a
6770

71+
6872
def populations_diff_coeff(particles, populations):
6973
"""Diffusion coefficients of the two specified populations.
7074
"""
@@ -83,6 +87,7 @@ def populations_diff_coeff(particles, populations):
8387
D_pop_start += counts
8488
return D_list
8589

90+
8691
def populations_slices(particles, num_pop_list):
8792
"""2-tuple of slices for selection of two populations.
8893
"""
@@ -142,7 +147,7 @@ def __init__(self, S, em_rates, E_values, num_particles,
142147
bg_rate_a=bg_rate_a, timeslice=timeslice,
143148
em_rates_d=em_rates_d, em_rates_a=em_rates_a,
144149
D_values=D_values, populations=populations,
145-
traj_filename = S.store.filepath.name)
150+
traj_filename=S.store.filepath.name)
146151

147152
for k, v in params.items():
148153
setattr(self, k, v)
@@ -167,13 +172,14 @@ def __init__(self, S, em_rates, E_values, num_particles,
167172
Donor: {self.bg_rate_d:7,} cps
168173
Acceptor: {self.bg_rate_a:7,} cps
169174
"""
175+
170176
def __str__(self):
171177
txt = [self.txt_header.format(self=self)]
172178
pop_params = (self.em_rates, self.E_values, self.num_particles,
173179
self.D_values, self.populations)
174180
for p_i, (em_rate, E, num_pop, D, pop) in enumerate(zip(*pop_params)):
175181
txt.append(self.txt_population.format(p_i=p_i + 1,
176-
num_pop=num_pop, D=D, em_rate=em_rate, E=E, pop=pop))
182+
num_pop=num_pop, D=D, em_rate=em_rate, E=E, pop=pop))
177183

178184
txt.append(self.txt_background.format(self=self))
179185
return ''.join(txt)
@@ -222,9 +228,9 @@ def run(self, rs, overwrite=True, skip_existing=False, path=None,
222228
self.hash_d = hash_(rs.get_state())[:6] # needed by merge_da()
223229
print('%s Donor timestamps - %s' % (header, ctime()), flush=True)
224230
self.S.simulate_timestamps_mix(
225-
populations = self.populations,
226-
max_rates = self.em_rates_d,
227-
bg_rate = self.bg_rate_d,
231+
populations=self.populations,
232+
max_rates=self.em_rates_d,
233+
bg_rate=self.bg_rate_d,
228234
**kwargs)
229235

230236
# Acceptor timestamps hash is from 'last_random_state' attribute
@@ -235,9 +241,9 @@ def run(self, rs, overwrite=True, skip_existing=False, path=None,
235241
self.hash_a = hash_(rs.get_state())[:6] # needed by merge_da()
236242
print('\n%s Acceptor timestamps - %s' % (header, ctime()), flush=True)
237243
self.S.simulate_timestamps_mix(
238-
populations = self.populations,
239-
max_rates = self.em_rates_a,
240-
bg_rate = self.bg_rate_a,
244+
populations=self.populations,
245+
max_rates=self.em_rates_a,
246+
bg_rate=self.bg_rate_a,
241247
**kwargs)
242248
print('\n%s Completed. %s' % (header, ctime()), flush=True)
243249

@@ -257,30 +263,28 @@ def run_da(self, rs, overwrite=True, skip_existing=False, path=None,
257263
print('%s Donor + Acceptor timestamps - %s' %
258264
(header, ctime()), flush=True)
259265
self.S.simulate_timestamps_mix_da(
260-
max_rates_d = self.em_rates_d,
261-
max_rates_a = self.em_rates_a,
262-
populations = self.populations,
263-
bg_rate_d = self.bg_rate_d,
264-
bg_rate_a = self.bg_rate_a,
266+
max_rates_d=self.em_rates_d,
267+
max_rates_a=self.em_rates_a,
268+
populations=self.populations,
269+
bg_rate_d=self.bg_rate_d,
270+
bg_rate_a=self.bg_rate_a,
265271
**kwargs)
266272
print('\n%s Completed. %s' % (header, ctime()), flush=True)
267273

268-
269274
@property
270275
def name_timestamps_d(self):
271-
names_d = self.S.timestamps_match_mix(self.em_rates_d, self.populations,
272-
self.bg_rate_d, self.hash_d)
276+
names_d = self.S.timestamps_match_mix(
277+
self.em_rates_d, self.populations, self.bg_rate_d, self.hash_d)
273278
assert len(names_d) == 1
274279
return names_d[0]
275280

276281
@property
277282
def name_timestamps_a(self):
278-
names_a = self.S.timestamps_match_mix(self.em_rates_a, self.populations,
279-
self.bg_rate_a, self.hash_a)
283+
names_a = self.S.timestamps_match_mix(
284+
self.em_rates_a, self.populations, self.bg_rate_a, self.hash_a)
280285
assert len(names_a) == 1
281286
return names_a[0]
282287

283-
284288
def merge_da(self):
285289
"""Merge donor and acceptor timestamps, computes `ts`, `a_ch`, `part`.
286290
"""

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