forked from pybamm-team/PyBaMM
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathparameter_values.py
884 lines (791 loc) · 36 KB
/
parameter_values.py
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
#
# Dimensional and dimensionless parameter values, and scales
#
import pybamm
import pandas as pd
import os
import numbers
import warnings
from pprint import pformat
from collections import defaultdict
class ParameterValues:
"""
The parameter values for a simulation.
Note that this class does not inherit directly from the python dictionary class as
this causes issues with saving and loading simulations.
Parameters
----------
values : dict or string
Explicit set of parameters, or reference to a file of parameters
If string, gets passed to read_parameters_csv to read a file.
chemistry : dict
Dict of strings for default chemistries. Must be of the form:
{"base chemistry": base_chemistry,
"cell": cell_properties_authorYear,
"negative electrode": negative_electrode_chemistry_authorYear,
"separator": separator_chemistry_authorYear,
"positive electrode": positive_electrode_chemistry_authorYear,
"electrolyte": electrolyte_chemistry_authorYear,
"experiment": experimental_conditions_authorYear}.
Then the negative electrode chemistry is loaded from the file
inputs/parameters/base_chemistry/negative electrodes/
negative_electrode_chemistry_authorYear, etc.
Parameters in "cell" should include geometry and current collector properties.
Parameters in "experiment" should include parameters relating to experimental
conditions, such as initial conditions and currents.
Examples
--------
>>> import pybamm
>>> values = {"some parameter": 1, "another parameter": 2}
>>> param = pybamm.ParameterValues(values)
>>> param["some parameter"]
1
>>> file = "input/parameters/lithium-ion/cells/kokam_Marquis2019/parameters.csv"
>>> values_path = pybamm.get_parameters_filepath(file)
>>> param = pybamm.ParameterValues(values=values_path)
>>> param["Negative current collector thickness [m]"]
2.5e-05
>>> param = pybamm.ParameterValues(chemistry=pybamm.parameter_sets.Marquis2019)
>>> param["Reference temperature [K]"]
298.15
"""
def __init__(self, values=None, chemistry=None):
self._dict_items = pybamm.FuzzyDict()
# Must provide either values or chemistry, not both (nor neither)
if values is not None and chemistry is not None:
raise ValueError(
"Only one of values and chemistry can be provided. To change parameters"
" slightly from a chemistry, first load parameters with the chemistry"
" (param = pybamm.ParameterValues(chemistry=...)) and then update with"
" param.update({dict of values})."
)
if values is None and chemistry is None:
raise ValueError("values and chemistry cannot both be None")
# First load chemistry
if chemistry is not None:
self.update_from_chemistry(chemistry)
# Then update with values dictionary or file
if values is not None:
# If base_parameters is a filename, load from that filename
if isinstance(values, str):
file_path = self.find_parameter(values)
path = os.path.split(file_path)[0]
values = self.read_parameters_csv(file_path)
else:
path = None
# Don't check parameter already exists when first creating it
self.update(values, check_already_exists=False, path=path)
# Initialise empty _processed_symbols dict (for caching)
self._processed_symbols = {}
self.parameter_events = []
def __getitem__(self, key):
return self._dict_items[key]
def get(self, key, default=None):
"Return item correspoonding to key if it exists, otherwise return default"
try:
return self._dict_items[key]
except KeyError:
return default
def __setitem__(self, key, value):
"Call the update functionality when doing a setitem"
self.update({key: value})
def __delitem__(self, key):
del self._dict_items[key]
def __repr__(self):
return pformat(self._dict_items, width=1)
def keys(self):
"Get the keys of the dictionary"
return self._dict_items.keys()
def values(self):
"Get the values of the dictionary"
return self._dict_items.values()
def items(self):
"Get the items of the dictionary"
return self._dict_items.items()
def copy(self):
"""Returns a copy of the parameter values. Makes sure to copy the internal
dictionary."""
return ParameterValues(values=self._dict_items.copy())
def search(self, key, print_values=True):
"""
Search dictionary for keys containing 'key'.
See :meth:`pybamm.FuzzyDict.search()`.
"""
return self._dict_items.search(key, print_values)
def update_from_chemistry(self, chemistry):
"""
Load standard set of components from a 'chemistry' dictionary
"""
base_chemistry = chemistry["chemistry"]
# Load each component name
component_groups = [
"cell",
"negative electrode",
"positive electrode",
"separator",
"electrolyte",
"experiment",
]
# add sei parameters if provided
if "sei" in chemistry:
component_groups += ["sei"]
if "anode" in chemistry.keys():
if "negative electrode" in chemistry.keys():
raise KeyError(
"both 'anode' and 'negative electrode' keys provided in the "
"chemistry. The 'anode' notation will be deprecated in the next "
"release so 'negative electrode' should be used instead."
)
else:
chemistry["negative electrode"] = chemistry["anode"]
warnings.warn(
"the 'anode' component notation will be deprecated in the next "
"release, as it has now been renamed to 'negative electrode'. "
"Simulation will continue passing the 'anode' component as "
"'negative electrode' (it might overwrite any existing definition "
"of the component).",
DeprecationWarning,
)
if "cathode" in chemistry.keys():
if "positive electrode" in chemistry.keys():
raise KeyError(
"both 'cathode' and 'positive electrode' keys provided in the "
"chemistry. The 'cathode' notation will be deprecated in the next "
"release so 'positive electrode' should be used instead."
)
else:
chemistry["positive electrode"] = chemistry["cathode"]
warnings.warn(
"the 'cathode' component notation will be deprecated in the next "
"release, as it has now been renamed to 'positive electrode'. "
"Simulation will continue passing the 'cathode' component as "
"'positive electrode' (it might overwrite any existing definition "
"of the component).",
DeprecationWarning,
)
for component_group in component_groups:
# Make sure component is provided
try:
component = chemistry[component_group]
except KeyError:
raise KeyError(
"must provide '{}' parameters for {} chemistry".format(
component_group, base_chemistry
)
)
# Create path to component and load values
component_path = os.path.join(
base_chemistry, component_group.replace(" ", "_") + "s", component
)
file_path = self.find_parameter(
os.path.join(component_path, "parameters.csv")
)
component_params = self.read_parameters_csv(file_path)
# Update parameters, making sure to check any conflicts
self.update(
component_params,
check_conflict=True,
check_already_exists=False,
path=os.path.dirname(file_path),
)
# register (list of) citations
if "citation" in chemistry:
citations = chemistry["citation"]
if not isinstance(citations, list):
citations = [citations]
for citation in citations:
pybamm.citations.register(citation)
def read_parameters_csv(self, filename):
"""Reads parameters from csv file into dict.
Parameters
----------
filename : str
The name of the csv file containing the parameters.
Returns
-------
dict
{name: value} pairs for the parameters.
"""
df = pd.read_csv(filename, comment="#", skip_blank_lines=True)
# Drop rows that are all NaN (seems to not work with skip_blank_lines)
df.dropna(how="all", inplace=True)
return {k: v for (k, v) in zip(df["Name [units]"], df["Value"])}
def update(self, values, check_conflict=False, check_already_exists=True, path=""):
"""
Update parameter dictionary, while also performing some basic checks.
Parameters
----------
values : dict
Dictionary of parameter values to update parameter dictionary with
check_conflict : bool, optional
Whether to check that a parameter in `values` has not already been defined
in the parameter class when updating it, and if so that its value does not
change. This is set to True during initialisation, when parameters are
combined from different sources, and is False by default otherwise
check_already_exists : bool, optional
Whether to check that a parameter in `values` already exists when trying to
update it. This is to avoid cases where an intended change in the parameters
is ignored due a typo in the parameter name, and is True by default but can
be manually overridden.
path : string, optional
Path from which to load functions
"""
# check parameter values
self.check_parameter_values(values)
# update
for name, value in values.items():
# check for conflicts
if (
check_conflict is True
and name in self.keys()
and not (self[name] == float(value) or self[name] == value)
):
raise ValueError(
"parameter '{}' already defined with value '{}'".format(
name, self[name]
)
)
# check parameter already exists (for updating parameters)
if check_already_exists is True:
try:
self._dict_items[name]
except KeyError as err:
raise KeyError(
"Cannot update parameter '{}' as it does not ".format(name)
+ "have a default value. ({}). If you are ".format(err.args[0])
+ "sure you want to update this parameter, use "
+ "param.update({{name: value}}, check_already_exists=False)"
)
# if no conflicts, update, loading functions and data if they are specified
# Functions are flagged with the string "[function]"
if isinstance(value, str):
if value.startswith("[function]"):
loaded_value = pybamm.load_function(
os.path.join(path, value[10:] + ".py")
)
self._dict_items[name] = loaded_value
values[name] = loaded_value
# Data is flagged with the string "[data]" or "[current data]"
elif value.startswith("[current data]") or value.startswith("[data]"):
if value.startswith("[current data]"):
data_path = os.path.join(
pybamm.root_dir(), "pybamm", "input", "drive_cycles"
)
filename = os.path.join(data_path, value[14:] + ".csv")
function_name = value[14:]
else:
filename = os.path.join(path, value[6:] + ".csv")
function_name = value[6:]
filename = pybamm.get_parameters_filepath(filename)
data = pd.read_csv(
filename, comment="#", skip_blank_lines=True, header=None
).to_numpy()
# Save name and data
self._dict_items[name] = (function_name, data)
values[name] = (function_name, data)
elif value == "[input]":
self._dict_items[name] = pybamm.InputParameter(name)
# Anything else should be a converted to a float
else:
self._dict_items[name] = float(value)
values[name] = float(value)
else:
self._dict_items[name] = value
# reset processed symbols
self._processed_symbols = {}
def check_parameter_values(self, values):
# Make sure typical current is non-zero
if "Typical current [A]" in values and values["Typical current [A]"] == 0:
raise ValueError(
"'Typical current [A]' cannot be zero. A possible alternative is to "
"set 'Current function [A]' to `0` instead."
)
if "C-rate" in values:
raise ValueError(
"The 'C-rate' parameter has been deprecated, "
"use 'Current function [A]' instead. The Nominal "
"cell capacity can be accessed as 'Nominal cell "
"capacity [A.h]', and used to calculate current from C-rate."
)
if "Cell capacity [A.h]" in values:
if "Nominal cell capacity [A.h]" in values:
raise ValueError(
"both 'Cell capacity [A.h]' and 'Nominal cell capacity [A.h]' "
"provided in values. The 'Cell capacity [A.h]' notation will be "
"deprecated in the next release so 'Nominal cell capacity [A.h]' "
"should be used instead."
)
else:
values["Nominal cell capacity [A.h]"] = values["Cell capacity [A.h]"]
warnings.warn(
"the 'Cell capacity [A.h]' notation will be "
"deprecated in the next release, as it has now been renamed "
"to 'Nominal cell capacity [A.h]'. Simulation will continue "
"passing the 'Cell capacity [A.h]' as 'Nominal cell "
"capacity [A.h]' (it might overwrite any existing definition "
"of the component)",
DeprecationWarning,
)
for param in values:
if "surface area density" in param:
raise ValueError(
"Parameters involving 'surface area density' have been renamed to "
"'surface area to volume ratio' ('{}' found)".format(param)
)
if "reaction rate" in param:
raise ValueError(
"Parameters involving 'reaction rate' have been replaced with "
"'exchange-current density' ('{}' found)".format(param)
)
for param in values:
if "particle distribution in x" in param:
raise ValueError(
"The parameter '{}' has been deprecated".format(param)
+ "The particle radius is now set as a function of x directly "
"instead of providing a reference value and a distribution."
)
for param in values:
if "surface area to volume ratio distribution in x" in param:
raise ValueError(
"The parameter '{}' has been deprecated".format(param)
+ "The surface area to volume ratio is now set as a function "
"of x directly instead of providing a reference value and a "
"distribution."
)
def process_model(self, unprocessed_model, inplace=True):
"""Assign parameter values to a model.
Currently inplace, could be changed to return a new model.
Parameters
----------
unprocessed_model : :class:`pybamm.BaseModel`
Model to assign parameter values for
inplace: bool, optional
If True, replace the parameters in the model in place. Otherwise, return a
new model with parameter values set. Default is True.
Raises
------
:class:`pybamm.ModelError`
If an empty model is passed (`model.rhs = {}` and `model.algebraic = {}` and
`model.variables = {}`)
"""
pybamm.logger.info(
"Start setting parameters for {}".format(unprocessed_model.name)
)
# set up inplace vs not inplace
if inplace:
# any changes to unprocessed_model attributes will change model attributes
# since they point to the same object
model = unprocessed_model
else:
# create a blank model of the same class
model = unprocessed_model.new_empty_copy()
if (
len(unprocessed_model.rhs) == 0
and len(unprocessed_model.algebraic) == 0
and len(unprocessed_model.variables) == 0
):
raise pybamm.ModelError("Cannot process parameters for empty model")
new_rhs = {}
for variable, equation in unprocessed_model.rhs.items():
pybamm.logger.verbose(
"Processing parameters for {!r} (rhs)".format(variable)
)
new_rhs[variable] = self.process_symbol(equation)
model.rhs = new_rhs
new_algebraic = {}
for variable, equation in unprocessed_model.algebraic.items():
pybamm.logger.verbose(
"Processing parameters for {!r} (algebraic)".format(variable)
)
new_algebraic[variable] = self.process_symbol(equation)
model.algebraic = new_algebraic
new_initial_conditions = {}
for variable, equation in unprocessed_model.initial_conditions.items():
pybamm.logger.verbose(
"Processing parameters for {!r} (initial conditions)".format(variable)
)
new_initial_conditions[variable] = self.process_symbol(equation)
model.initial_conditions = new_initial_conditions
model.boundary_conditions = self.process_boundary_conditions(unprocessed_model)
new_variables = {}
for variable, equation in unprocessed_model.variables.items():
pybamm.logger.verbose(
"Processing parameters for {!r} (variables)".format(variable)
)
new_variables[variable] = self.process_symbol(equation)
model.variables = new_variables
new_events = []
for event in unprocessed_model.events:
pybamm.logger.verbose(
"Processing parameters for event '{}''".format(event.name)
)
new_events.append(
pybamm.Event(
event.name, self.process_symbol(event.expression), event.event_type
)
)
for event in self.parameter_events:
pybamm.logger.verbose(
"Processing parameters for event '{}''".format(event.name)
)
new_events.append(
pybamm.Event(
event.name, self.process_symbol(event.expression), event.event_type
)
)
model.events = new_events
# Set external variables
model.external_variables = [
self.process_symbol(var) for var in unprocessed_model.external_variables
]
# Process timescale
model.timescale = self.process_symbol(unprocessed_model.timescale)
# Process length scales
new_length_scales = {}
for domain, scale in unprocessed_model.length_scales.items():
new_length_scales[domain] = self.process_symbol(scale)
model.length_scales = new_length_scales
pybamm.logger.info("Finish setting parameters for {}".format(model.name))
return model
def process_boundary_conditions(self, model):
"""
Process boundary conditions for a model
Boundary conditions are dictionaries {"left": left bc, "right": right bc}
in general, but may be imposed on the tabs (or *not* on the tab) for a
small number of variables, e.g. {"negative tab": neg. tab bc,
"positive tab": pos. tab bc "no tab": no tab bc}.
"""
new_boundary_conditions = {}
sides = ["left", "right", "negative tab", "positive tab", "no tab"]
for variable, bcs in model.boundary_conditions.items():
processed_variable = self.process_symbol(variable)
new_boundary_conditions[processed_variable] = {}
for side in sides:
try:
bc, typ = bcs[side]
pybamm.logger.verbose(
"Processing parameters for {!r} ({} bc)".format(variable, side)
)
processed_bc = (self.process_symbol(bc), typ)
new_boundary_conditions[processed_variable][side] = processed_bc
except KeyError as err:
# don't raise error if the key error comes from the side not being
# found
if err.args[0] in side:
pass
# do raise error otherwise (e.g. can't process symbol)
else:
raise KeyError(err)
return new_boundary_conditions
def update_model(self, model, disc):
raise NotImplementedError(
"""
update_model functionality has been deprecated.
Use pybamm.InputParameter to quickly change a parameter value instead
"""
)
def process_geometry(self, geometry):
"""
Assign parameter values to a geometry (inplace).
Parameters
----------
geometry : dict
Geometry specs to assign parameter values to
"""
for domain in geometry:
for spatial_variable, spatial_limits in geometry[domain].items():
# process tab information if using 1 or 2D current collectors
if spatial_variable == "tabs":
for tab, position_size in spatial_limits.items():
for position_size, sym in position_size.items():
geometry[domain]["tabs"][tab][
position_size
] = self.process_symbol(sym)
else:
for lim, sym in spatial_limits.items():
if isinstance(sym, pybamm.Symbol):
geometry[domain][spatial_variable][
lim
] = self.process_symbol(sym)
def process_symbol(self, symbol):
"""Walk through the symbol and replace any Parameter with a Value.
If a symbol has already been processed, the stored value is returned.
Parameters
----------
symbol : :class:`pybamm.Symbol`
Symbol or Expression tree to set parameters for
Returns
-------
symbol : :class:`pybamm.Symbol`
Symbol with Parameter instances replaced by Value
"""
try:
return self._processed_symbols[symbol.id]
except KeyError:
processed_symbol = self._process_symbol(symbol)
self._processed_symbols[symbol.id] = processed_symbol
return processed_symbol
def _process_symbol(self, symbol):
""" See :meth:`ParameterValues.process_symbol()`. """
if isinstance(symbol, pybamm.Parameter):
value = self[symbol.name]
if isinstance(value, numbers.Number):
# Scalar inherits name (for updating parameters) and domain (for
# Broadcast)
return pybamm.Scalar(value, name=symbol.name, domain=symbol.domain)
elif isinstance(value, pybamm.Symbol):
new_value = self.process_symbol(value)
new_value.domain = symbol.domain
return new_value
else:
raise TypeError("Cannot process parameter '{}'".format(value))
elif isinstance(symbol, pybamm.FunctionParameter):
new_children = [self.process_symbol(child) for child in symbol.children]
function_name = self[symbol.name]
# Create Function or Interpolant or Scalar object
if isinstance(function_name, tuple):
# If function_name is a tuple then it should be (name, data) and we need
# to create an Interpolant
name, data = function_name
function = pybamm.Interpolant(
data[:, 0], data[:, 1], *new_children, name=name
)
# Define event to catch extrapolation. In these events the sign is
# important: it should be positive inside of the range and negative
# outside of it
self.parameter_events.append(
pybamm.Event(
"Interpolant {} lower bound".format(name),
pybamm.min(new_children[0] - min(data[:, 0])),
pybamm.EventType.INTERPOLANT_EXTRAPOLATION,
)
)
self.parameter_events.append(
pybamm.Event(
"Interpolant {} upper bound".format(name),
pybamm.min(max(data[:, 0]) - new_children[0]),
pybamm.EventType.INTERPOLANT_EXTRAPOLATION,
)
)
elif isinstance(function_name, numbers.Number):
# If the "function" is provided is actually a scalar, return a Scalar
# object instead of throwing an error.
# Also use ones_like so that we get the right shapes
function = pybamm.Scalar(
function_name, name=symbol.name
) * pybamm.ones_like(*new_children)
elif (
isinstance(function_name, pybamm.Symbol)
and function_name.evaluates_to_number()
):
# If the "function" provided is a pybamm scalar-like, use ones_like to
# get the right shape
# This also catches input parameters
function = function_name * pybamm.ones_like(*new_children)
elif callable(function_name):
# otherwise evaluate the function to create a new PyBaMM object
function = function_name(*new_children)
elif isinstance(function_name, pybamm.Interpolant):
function = function_name
else:
raise TypeError(
"Parameter provided for '{}' ".format(symbol.name)
+ "is of the wrong type (should either be scalar-like or callable)"
)
# Differentiate if necessary
if symbol.diff_variable is None:
function_out = function
else:
# return differentiated function
new_diff_variable = self.process_symbol(symbol.diff_variable)
function_out = function.diff(new_diff_variable)
# Convert possible float output to a pybamm scalar
if isinstance(function_out, numbers.Number):
return pybamm.Scalar(function_out)
# Process again just to be sure
return self.process_symbol(function_out)
elif isinstance(symbol, pybamm.BinaryOperator):
# process children
new_left = self.process_symbol(symbol.left)
new_right = self.process_symbol(symbol.right)
# make new symbol, ensure domain remains the same
new_symbol = symbol._binary_new_copy(new_left, new_right)
new_symbol.domain = symbol.domain
return new_symbol
# Unary operators
elif isinstance(symbol, pybamm.UnaryOperator):
new_child = self.process_symbol(symbol.child)
new_symbol = symbol._unary_new_copy(new_child)
# ensure domain remains the same
new_symbol.domain = symbol.domain
return new_symbol
# Functions
elif isinstance(symbol, pybamm.Function):
new_children = [self.process_symbol(child) for child in symbol.children]
return symbol._function_new_copy(new_children)
# Concatenations
elif isinstance(symbol, pybamm.Concatenation):
new_children = [self.process_symbol(child) for child in symbol.children]
return symbol._concatenation_new_copy(new_children)
else:
# Backup option: return new copy of the object
try:
return symbol.new_copy()
except NotImplementedError:
raise NotImplementedError(
"Cannot process parameters for symbol of type '{}'".format(
type(symbol)
)
)
def evaluate(self, symbol):
"""
Process and evaluate a symbol.
Parameters
----------
symbol : :class:`pybamm.Symbol`
Symbol or Expression tree to evaluate
Returns
-------
number of array
The evaluated symbol
"""
processed_symbol = self.process_symbol(symbol)
if processed_symbol.evaluates_to_constant_number():
return processed_symbol.evaluate()
else:
raise ValueError("symbol must evaluate to a constant scalar")
def _ipython_key_completions_(self):
return list(self._dict_items.keys())
def export_csv(self, filename):
# process functions and data to output
# like they appear in inputs csv files
parameter_output = {}
for key, val in self.items():
if callable(val):
val = "[function]" + val.__name__
elif isinstance(val, tuple):
val = "[data]" + val[0]
parameter_output[key] = [val]
df = pd.DataFrame(parameter_output)
df = df.transpose()
df.to_csv(filename, header=None)
def print_parameters(self, parameters, output_file=None):
"""
Return dictionary of evaluated parameters, and optionally print these evaluated
parameters to an output file.
For dimensionless parameters that depend on the C-rate, the value is given as a
function of the C-rate (either x * Crate or x / Crate depending on the
dependence)
Parameters
----------
parameters : class or dict containing :class:`pybamm.Parameter` objects
Class or dictionary containing all the parameters to be evaluated
output_file : string, optional
The file to print parameters to. If None, the parameters are not printed,
and this function simply acts as a test that all the parameters can be
evaluated, and returns the dictionary of evaluated parameters.
Returns
-------
evaluated_parameters : defaultdict
The evaluated parameters, for further processing if needed
Notes
-----
A C-rate of 1 C is the current required to fully discharge the battery in 1
hour, 2 C is current to discharge the battery in 0.5 hours, etc
"""
# Set list of attributes to ignore, for when we are evaluating parameters from
# a class of parameters
ignore = [
"__name__",
"__doc__",
"__package__",
"__loader__",
"__spec__",
"__file__",
"__cached__",
"__builtins__",
"absolute_import",
"division",
"print_function",
"unicode_literals",
"pybamm",
"constants",
"np",
"geo",
"elec",
"therm",
]
# If 'parameters' is a class, extract the dict
if not isinstance(parameters, dict):
parameters = {
k: v for k, v in parameters.__dict__.items() if k not in ignore
}
evaluated_parameters = defaultdict(list)
# Calculate parameters for each C-rate
for Crate in [1, 10]:
# Update Crate
capacity = self.get("Nominal cell capacity [A.h]")
if capacity is not None:
self.update(
{"Current function [A]": Crate * capacity},
check_already_exists=False,
)
for name, symbol in parameters.items():
if not callable(symbol):
proc_symbol = self.process_symbol(symbol)
if not (
callable(proc_symbol)
or proc_symbol.has_symbol_of_classes(
(pybamm.Concatenation, pybamm.Broadcast)
)
):
evaluated_parameters[name].append(proc_symbol.evaluate(t=0))
# Calculate C-dependence of the parameters based on the difference between the
# value at 1C and the value at C / 10
for name, values in evaluated_parameters.items():
if values[1] == 0 or abs(values[0] / values[1] - 1) < 1e-10:
C_dependence = ""
elif abs(values[0] / values[1] - 10) < 1e-10:
C_dependence = " * Crate"
elif abs(values[0] / values[1] - 0.1) < 1e-10:
C_dependence = " / Crate"
evaluated_parameters[name] = (values[0], C_dependence)
# Print the evaluated_parameters dict to output_file
if output_file:
self.print_evaluated_parameters(evaluated_parameters, output_file)
return evaluated_parameters
def print_evaluated_parameters(self, evaluated_parameters, output_file):
"""
Print a dictionary of evaluated parameters to an output file
Parameters
----------
evaluated_parameters : defaultdict
The evaluated parameters, for further processing if needed
output_file : string, optional
The file to print parameters to. If None, the parameters are not printed,
and this function simply acts as a test that all the parameters can be
evaluated
"""
# Get column width for pretty printing
column_width = max(len(name) for name in evaluated_parameters.keys())
s = "{{:>{}}}".format(column_width)
with open(output_file, "w") as file:
for name, (value, C_dependence) in sorted(evaluated_parameters.items()):
if 0.001 < abs(value) < 1000:
file.write(
(s + " : {:10.4g}{!s}\n").format(name, value, C_dependence)
)
else:
file.write(
(s + " : {:10.3E}{!s}\n").format(name, value, C_dependence)
)
@staticmethod
def find_parameter(path):
"""Look for parameter file in the different locations
in PARAMETER_PATH
"""
for location in pybamm.PARAMETER_PATH:
trial_path = os.path.join(location, path)
if os.path.isfile(trial_path):
return trial_path
raise FileNotFoundError("Could not find parameter {}".format(path))