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Issue 2382 simulation only #2395

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merged 9 commits into from
Oct 28, 2022
Merged

Issue 2382 simulation only #2395

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b01db4b
#2382 working on reformatting simulation and experiment
valentinsulzer Oct 21, 2022
7881598
Merge branch 'develop' into issue-2382-simulation-only
valentinsulzer Oct 21, 2022
f79ae87
#2382 working on tests
valentinsulzer Oct 21, 2022
bfb4374
#2382 fix simulations with experiments
valentinsulzer Oct 21, 2022
0df3a59
#2382 flake8
valentinsulzer Oct 21, 2022
7824e56
#2382 fix coverage and integration tests
valentinsulzer Oct 21, 2022
b8f1734
#2382 fix examples
valentinsulzer Oct 21, 2022
177397a
#2382 flake8
valentinsulzer Oct 24, 2022
e1d36fa
Merge branch 'develop' into issue-2382-simulation-only
valentinsulzer Oct 28, 2022
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2 changes: 2 additions & 0 deletions CHANGELOG.md
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Original file line number Diff line number Diff line change
Expand Up @@ -12,13 +12,15 @@

## Optimizations

- Reformatted how simulations with experiments are built ([#2395](https://github.com/pybamm-team/PyBaMM/pull/2395))
- Added small perturbation to initial conditions for casadi solver. This seems to help the solver converge better in some cases ([#2356](https://github.com/pybamm-team/PyBaMM/pull/2356))
- Added `ExplicitTimeIntegral` functionality to move variables which do not appear anywhere on the rhs to a new location, and to integrate those variables explicitly when `get` is called by the solution object. ([#2348](https://github.com/pybamm-team/PyBaMM/pull/2348))
- Added more rules for simplifying expressions ([#2211](https://github.com/pybamm-team/PyBaMM/pull/2211))
- Sped up calculations of Electrode SOH variables for summary variables ([#2210](https://github.com/pybamm-team/PyBaMM/pull/2210))

## Breaking change

- Removed `pybamm.SymbolReplacer` as it is no longer needed to set up simulations with experiments, which is the only place where it was being used ([#2395](https://github.com/pybamm-team/PyBaMM/pull/2395))
- Removed `get_infinite_nested_dict`, `BaseModel.check_default_variables_dictionaries`, and `Discretisation.create_jacobian` methods, which were not used by any other functionality in the repository ([#2384](https://github.com/pybamm-team/PyBaMM/pull/2384))
- Dropped support for Python 3.7 after the release of Numpy v1.22.0 ([#2379](https://github.com/pybamm-team/PyBaMM/pull/2379))
- Removed parameter cli tools (add/edit/remove parameters). Parameter sets can now more easily be added via python scripts. ([#2342](https://github.com/pybamm-team/PyBaMM/pull/2342))
Expand Down
2 changes: 1 addition & 1 deletion examples/scripts/experimental_protocols/cccv.py
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Expand Up @@ -4,7 +4,7 @@
import pybamm
import matplotlib.pyplot as plt

pybamm.set_logging_level("NOTICE")
pybamm.set_logging_level("INFO")
experiment = pybamm.Experiment(
[
(
Expand Down
1 change: 0 additions & 1 deletion pybamm/__init__.py
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Original file line number Diff line number Diff line change
Expand Up @@ -96,7 +96,6 @@
from .expression_tree.operations.jacobian import Jacobian
from .expression_tree.operations.convert_to_casadi import CasadiConverter
from .expression_tree.operations.unpack_symbols import SymbolUnpacker
from .expression_tree.operations.replace_symbols import SymbolReplacer
from .expression_tree.operations.evaluate_julia import (
get_julia_function,
get_julia_mtk_model,
Expand Down
238 changes: 105 additions & 133 deletions pybamm/experiments/experiment.py
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Expand Up @@ -67,6 +67,14 @@ def __init__(
if cccv_handling not in ["two-step", "ode"]:
raise ValueError("cccv_handling should be either 'two-step' or 'ode'")
self.cccv_handling = cccv_handling
# Save arguments for copying
self.args = (
operating_conditions,
period,
termination,
drive_cycles,
cccv_handling,
)

self.period = self.convert_time_to_seconds(period.split())
operating_conditions_cycles = []
Expand All @@ -89,7 +97,9 @@ def __init__(
next_step = None
finished = True
if self.is_cccv(step, next_step):
processed_cycle.append(step + " then " + next_step)
processed_cycle.append(
f"{step} then {next_step[0].lower()}{next_step[1:]}"
)
idx += 2
else:
processed_cycle.append(step)
Expand All @@ -108,58 +118,31 @@ def __init__(
badly_typed_conditions = []
badly_typed_conditions = badly_typed_conditions or [cycle]
raise TypeError(
"""Operating conditions should be strings or tuples of strings, not
{}. For example: {}
""".format(
type(badly_typed_conditions[0]), examples
).replace(
"\n ", " "
)
"Operating conditions should be strings or tuples of strings, not "
f"{type(badly_typed_conditions[0])}. For example: {examples}"
)
self.cycle_lengths = [len(cycle) for cycle in operating_conditions_cycles]
operating_conditions = [
cond for cycle in operating_conditions_cycles for cond in cycle
]
self.operating_conditions_cycles = operating_conditions_cycles
self.operating_conditions_strings = operating_conditions
self.operating_conditions, self.events = self.read_operating_conditions(
operating_conditions, drive_cycles
)
self.operating_conditions = [
self.read_string(cond, drive_cycles) for cond in operating_conditions
]

self.termination_string = termination
self.termination = self.read_termination(termination)

def __str__(self):
return str(self.operating_conditions_strings)
return str(self.operating_conditions_cycles)

def copy(self):
return Experiment(*self.args)

def __repr__(self):
return "pybamm.Experiment({!s})".format(self)

def read_operating_conditions(self, operating_conditions, drive_cycles):
"""
Convert operating conditions to the appropriate format

Parameters
----------
operating_conditions : list
List of operating conditions
drive_cycles : dictionary
Dictionary of Drive Cycles

Returns
-------
operating_conditions : list
Operating conditions in the tuple format
"""
converted_operating_conditions = []
events = []
for cond in operating_conditions:
next_op, next_event = self.read_string(cond, drive_cycles)
converted_operating_conditions.append(next_op)
events.append(next_event)

return converted_operating_conditions, events

def read_string(self, cond, drive_cycles):
"""
Convert a string to a tuple of the right format
Expand All @@ -178,20 +161,26 @@ def read_string(self, cond, drive_cycles):
# If the string contains " then ", then this is a two-step CCCV experiment
# and we need to split it into two strings
cond_CC, cond_CV = cond.split(" then ")
op_CC, _ = self.read_string(cond_CC, drive_cycles)
op_CV, event_CV = self.read_string(cond_CV, drive_cycles)
return (
{
"electric": op_CC["electric"] + op_CV["electric"],
"time": op_CV["time"],
"period": op_CV["period"],
"dc_data": None,
},
event_CV,
)
op_CC = self.read_string(cond_CC, drive_cycles)
op_CV = self.read_string(cond_CV, drive_cycles)
outputs = {
"type": "CCCV",
"Voltage input [V]": op_CV["Voltage input [V]"],
"time": op_CV["time"],
"period": op_CV["period"],
"dc_data": None,
"string": cond,
"events": op_CV["events"],
}
if "Current input [A]" in op_CC:
outputs["Current input [A]"] = op_CC["Current input [A]"]
else:
outputs["C-rate input [-]"] = op_CC["C-rate input [-]"]
return outputs

# Read period
if " period)" in cond:
cond, time_period = cond.split("(")
cond, time_period = cond.split(" (")
time, _ = time_period.split(" period)")
period = self.convert_time_to_seconds(time.split())
else:
Expand All @@ -207,36 +196,24 @@ def read_string(self, cond, drive_cycles):
"Type of drive cycle must be specified using '(A)', '(V)' or '(W)'."
f" For example: {examples}"
)
# Check for Events
elif "for" in cond:
# e.g. for 3 hours
idx = cond_list.index("for")
end_time = self.convert_time_to_seconds(cond_list[idx + 1 :])
ext_drive_cycle = self.extend_drive_cycle(
drive_cycles[cond_list[1]], end_time
)
# Drive cycle as numpy array
dc_name = cond_list[1] + "_ext_{}".format(end_time)
dc_data = ext_drive_cycle
# Find the type of drive cycle ("A", "V", or "W")
typ = cond_list[2][1]
electric = (dc_name, typ)
time = ext_drive_cycle[:, 0][-1]
period = np.min(np.diff(ext_drive_cycle[:, 0]))
events = None
else:
# e.g. Run US06
# Drive cycle as numpy array
dc_name = cond_list[1]
dc_data = drive_cycles[cond_list[1]]
# Find the type of drive cycle ("A", "V", or "W")
typ = cond_list[2][1]
electric = (dc_name, typ)
# Set time and period to 1 second for first step and
# then calculate the difference in consecutive time steps
time = drive_cycles[cond_list[1]][:, 0][-1]
period = np.min(np.diff(drive_cycles[cond_list[1]][:, 0]))
events = None
# Check for Events
if "for" in cond:
# e.g. for 3 hours
idx = cond_list.index("for")
end_time = self.convert_time_to_seconds(cond_list[idx + 1 :])
ext_drive_cycle = self.extend_drive_cycle(dc_data, end_time)
# Drive cycle as numpy array
dc_data = ext_drive_cycle
# Set time and period to 1 second for first step and
# then calculate the difference in consecutive time steps
time = dc_data[:, 0][-1]
period = np.min(np.diff(dc_data[:, 0]))
# Find the unit of drive cycle ("A", "V", or "W")
unit = cond_list[2][1]
electric = {"dc_data": dc_data, "unit": unit}
events = None
else:
dc_data = None
if "for" in cond and "or until" in cond:
Expand All @@ -263,19 +240,34 @@ def read_string(self, cond, drive_cycles):
events = self.convert_electric(cond_list[idx + 1 :])
else:
raise ValueError(
"""Operating conditions must contain keyword 'for' or 'until' or
'Run'. For example: {}
""".format(
examples
).replace(
"\n ", " "
)
"Operating conditions must contain keyword 'for' or 'until' or "
f"'Run'. For example: {examples}"
)

return (
{"electric": electric, "time": time, "period": period, "dc_data": dc_data},
events,
)
self.unit_to_type(electric)
self.unit_to_type(events)

return {
**electric,
"time": time,
"period": period,
"dc_data": dc_data,
"string": cond,
"events": events,
}

def unit_to_type(self, electric):
if electric is not None:
unit = electric.pop("unit")
if unit == "C":
electric["type"] = "C-rate"
elif unit == "A":
electric["type"] = "current"
elif unit == "V":
electric["type"] = "voltage"
elif unit == "W":
electric["type"] = "power"
return electric

def extend_drive_cycle(self, drive_cycle, end_time):
"Extends the drive cycle to enable for event"
Expand Down Expand Up @@ -304,63 +296,34 @@ def convert_electric(self, electric):
"""Convert electrical instructions to consistent output"""
# Rest == zero current
if electric[0].lower() == "rest":
return (0, "A")
return {"Current input [A]": 0, "unit": "A"}
else:
if len(electric) in [3, 4]:
if len(electric) == 4:
# e.g. Charge at 4 A, Hold at 3 V
instruction, _, value, unit = electric
value_unit = value + unit
elif len(electric) == 3:
# e.g. Discharge at C/2, Charge at 1A
instruction, _, value_unit = electric
if value_unit[0] == "C":
# e.g. C/2
unit = value_unit[0]
value = 1 / float(value_unit[2:])
else:
# e.g. 1A
if "m" in value_unit:
# e.g. 1mA
unit = value_unit[-2:]
value = float(value_unit[:-2])
else:
# e.g. 1A
unit = value_unit[-1]
value = float(value_unit[:-1])
# Read instruction
if instruction.lower() in ["discharge", "hold"]:
sign = 1
elif instruction.lower() == "charge":
sign = -1
else:
raise ValueError(
"""Instruction must be 'discharge', 'charge', 'rest', 'hold' or
'Run'. For example: {}""".format(
examples
).replace(
"\n ", " "
)
"Instruction must be 'discharge', 'charge', 'rest', 'hold' or "
f"'Run'. For example: {examples}"
)
elif len(electric) == 2:
# e.g. 3 A, 4.1 V
value, unit = electric
value_unit = value + unit
sign = 1
elif len(electric) == 1:
# e.g. C/2, 1A
value_unit = electric[0]
if value_unit[0] == "C":
# e.g. C/2
unit = value_unit[0]
value = 1 / float(value_unit[2:])
else:
if "m" in value_unit:
# e.g. 1mA
unit = value_unit[-2:]
value = float(value_unit[:-2])
else:
# e.g. 1A
unit = value_unit[-1]
value = float(value_unit[:-1])
sign = 1
else:
raise ValueError(
Expand All @@ -369,19 +332,28 @@ def convert_electric(self, electric):
" ".join(electric), examples
)
)
# e.g. C/2, 1A
if value_unit[0] == "C":
# e.g. C/2
unit = value_unit[0]
value = 1 / float(value_unit[2:])
else:
unit = value_unit[-1:]
if "m" in value_unit:
# e.g. 1mA
value = float(value_unit[:-2]) / 1000
else:
# e.g. 1A
value = float(value_unit[:-1])
# Read value and units
if unit == "C":
return (sign * float(value), "C")
return {"C-rate input [-]": sign * float(value), "unit": unit}
elif unit == "A":
return (sign * float(value), "A")
elif unit == "mA":
return (sign * float(value) / 1000, "A")
return {"Current input [A]": sign * float(value), "unit": unit}
elif unit == "V":
return (float(value), "V")
return {"Voltage input [V]": float(value), "unit": unit}
elif unit == "W":
return (sign * float(value), "W")
elif unit == "mW":
return (sign * float(value) / 1000, "W")
return {"Power input [W]": sign * float(value), "unit": unit}
else:
raise ValueError(
"""units must be 'C', 'A', 'mA', 'V', 'W' or 'mW', not '{}'.
Expand Down Expand Up @@ -462,9 +434,9 @@ def is_cccv(self, step, next_step):
and "Hold at " in next_step
and "V until" in next_step
):
_, events = self.read_string(step, None)
next_op, _ = self.read_string(next_step, None)
op = self.read_string(step, None)
next_op = self.read_string(next_step, None)
# Check that the event conditions are the same as the hold conditions
if events == next_op["electric"]:
if op["events"] == {k: v for k, v in next_op.items() if k in op["events"]}:
return True
return False
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