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modsim.py
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1239 lines (927 loc) · 34.1 KB
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"""
A collection of functions and classes for modeling and simulation in Python.
Code from Modeling and Simulation in Python.
Copyright 2020-2025 Allen Downey
MIT License: https://opensource.org/licenses/MIT
This module provides a simplified interface for modeling and simulation tasks,
built on top of NumPy, SciPy, and Pandas. It is designed to be beginner-friendly
and includes comprehensive input validation to help catch common errors.
The module includes utilities for:
- Mathematical operations (coordinate conversions, vector operations)
- Numerical methods (root finding, optimization, integration)
- Data manipulation and analysis
- Visualization and plotting
- System modeling and simulation
Key features:
- Vector operations in 2D and 3D
- Time series and sweep series data structures
- System and parameter management
- Numerical methods for solving equations and optimization
- Plotting and visualization utilities
- Unit handling and conversion
This module is designed to be used in conjunction with the book "Modeling and
Simulation in Python" by Allen Downey.
"""
import logging
logger = logging.getLogger(name="modsim.py")
# make sure we have Python 3.6 or better
import sys
if sys.version_info < (3, 6):
logger.warning("modsim.py depends on Python 3.6 features.")
import inspect
import numbers
import matplotlib.pyplot as plt
plt.rcParams["figure.dpi"] = 75
plt.rcParams["savefig.dpi"] = 300
plt.rcParams["figure.figsize"] = 6, 4
from copy import copy
from types import SimpleNamespace
import numpy as np
import pandas as pd
import scipy
import scipy.optimize as spo
from scipy.integrate import solve_ivp
from scipy.interpolate import InterpolatedUnivariateSpline, interp1d
# Input validation helpers
def validate_numeric(value, name):
"""Validate that a value is numeric."""
if not isinstance(value, numbers.Number):
raise ValueError(f"{name} must be numeric, got {type(value)}")
def validate_array_like(value, name):
"""Validate that a value is array-like by checking for __getitem__ and __iter__."""
if not (hasattr(value, "__getitem__") and hasattr(value, "__iter__")):
raise ValueError(f"{name} must be array-like, got {type(value)}")
def validate_positive(value, name):
"""Validate that a value is positive."""
if value <= 0:
raise ValueError(f"{name} must be positive, got {value}")
def flip(p=0.5):
"""Flips a coin with the given probability.
Args:
p (float): Probability between 0 and 1.
Returns:
bool: True or False.
"""
return np.random.random() < p
def cart2pol(x, y, z=None):
"""Convert Cartesian coordinates to polar.
Args:
x (number or sequence): x coordinate.
y (number or sequence): y coordinate.
z (number or sequence, optional): z coordinate. Defaults to None.
Returns:
tuple: (theta, rho) or (theta, rho, z).
Raises:
ValueError: If x or y are not numeric or array-like, or if z is provided but not numeric or array-like
"""
if not isinstance(x, (int, float, list, tuple, np.ndarray, pd.Series)):
raise ValueError("x must be numeric or array-like")
if not isinstance(y, (int, float, list, tuple, np.ndarray, pd.Series)):
raise ValueError("y must be numeric or array-like")
if z is not None and not isinstance(
z, (int, float, list, tuple, np.ndarray, pd.Series)
):
raise ValueError("z must be numeric or array-like")
x = np.asarray(x)
y = np.asarray(y)
rho = np.hypot(x, y)
theta = np.arctan2(y, x)
if z is None:
return theta, rho
else:
return theta, rho, z
def pol2cart(theta, rho, z=None):
"""Convert polar coordinates to Cartesian.
Args:
theta (number or sequence): Angle in radians.
rho (number or sequence): Radius.
z (number or sequence, optional): z coordinate. Defaults to None.
Returns:
tuple: (x, y) or (x, y, z).
Raises:
ValueError: If theta or rho are not numeric or array-like, or if z is provided but not numeric or array-like
"""
if not isinstance(theta, (int, float, list, tuple, np.ndarray, pd.Series)):
raise ValueError("theta must be numeric or array-like")
if not isinstance(rho, (int, float, list, tuple, np.ndarray, pd.Series)):
raise ValueError("rho must be numeric or array-like")
if z is not None and not isinstance(
z, (int, float, list, tuple, np.ndarray, pd.Series)
):
raise ValueError("z must be numeric or array-like")
x = rho * np.cos(theta)
y = rho * np.sin(theta)
if z is None:
return x, y
else:
return x, y, z
from numpy import linspace
def linrange(start, stop=None, step=1):
"""Make an array of equally spaced values.
Args:
start (float): First value.
stop (float, optional): Last value (might be approximate). Defaults to None.
step (float, optional): Difference between elements. Defaults to 1.
Returns:
np.ndarray: Array of equally spaced values.
"""
if stop is None:
stop = start
start = 0
n = int(round((stop - start) / step))
return linspace(start, stop, n + 1)
def __check_kwargs(kwargs, param_name, param_len, func, func_name):
"""Check if `kwargs` has a parameter that is a sequence of a particular length.
Args:
kwargs (dict): Dictionary of keyword arguments.
param_name (str): Name of the parameter to check.
param_len (list): List of valid lengths for the parameter.
func (callable): Function to test the parameter value.
func_name (str): Name of the function for error messages.
Raises:
ValueError: If the parameter is missing or has an invalid length.
Exception: If the function call fails on the parameter value.
"""
param_val = kwargs.get(param_name, None)
if param_val is None or len(param_val) not in param_len:
msg = (
"To run `{}`, you have to provide a "
"`{}` keyword argument with a sequence of length {}."
)
raise ValueError(
msg.format(func_name, param_name, " or ".join(map(str, param_len)))
)
try:
func(param_val[0])
except Exception as e:
msg = (
"In `{}` I tried running the function you provided "
"with `{}[0]`, and I got the following error:"
)
logger.error(msg.format(func_name, param_name))
raise (e)
def root_scalar(func, *args, **kwargs):
"""Find the input value that is a root of `func`.
Wrapper for
https://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.root_scalar.html
Args:
func (callable): Function to find a root of.
*args: Additional positional arguments passed to `func`.
**kwargs: Additional keyword arguments passed to `root_scalar`.
Returns:
RootResults: Object containing the root and convergence information.
Raises:
ValueError: If the solver does not converge.
"""
underride(kwargs, rtol=1e-4)
__check_kwargs(kwargs, "bracket", [2], lambda x: func(x, *args), "root_scalar")
res = spo.root_scalar(func, *args, **kwargs)
if not res.converged:
msg = (
"scipy.optimize.root_scalar did not converge. "
"The message it returned is:\n" + res.flag
)
raise ValueError(msg)
return res
def minimize_scalar(func, *args, **kwargs):
"""Find the input value that minimizes `func`.
Wrapper for
https://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.minimize_scalar.html
Args:
func (callable): Function to be minimized.
*args: Additional positional arguments passed to `func`.
**kwargs: Additional keyword arguments passed to `minimize_scalar`.
Returns:
OptimizeResult: Object containing the minimum and optimization details.
Raises:
Exception: If the optimization does not succeed.
"""
underride(kwargs, __func_name="minimize_scalar")
method = kwargs.get("method", None)
if method is None:
method = "bounded" if kwargs.get("bounds", None) else "brent"
kwargs["method"] = method
if method == "bounded":
param_name = "bounds"
param_len = [2]
else:
param_name = "bracket"
param_len = [2, 3]
func_name = kwargs.pop("__func_name")
__check_kwargs(kwargs, param_name, param_len, lambda x: func(x, *args), func_name)
res = spo.minimize_scalar(func, args=args, **kwargs)
if not res.success:
msg = (
"minimize_scalar did not succeed."
"The message it returned is: \n" + res.message
)
raise Exception(msg)
return res
def maximize_scalar(func, *args, **kwargs):
"""Find the input value that maximizes `func`.
Wrapper for https://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.minimize_scalar.html
Args:
func (callable): Function to be maximized.
*args: Additional positional arguments passed to `func`.
**kwargs: Additional keyword arguments passed to `minimize_scalar`.
Returns:
OptimizeResult: Object containing the maximum and optimization details.
Raises:
Exception: If the optimization does not succeed.
"""
def min_func(*args):
return -func(*args)
underride(kwargs, __func_name="maximize_scalar")
res = minimize_scalar(min_func, *args, **kwargs)
# we have to negate the function value before returning res
res.fun = -res.fun
return res
def run_solve_ivp(system, slope_func, **options):
"""Compute a numerical solution to a differential equation using solve_ivp.
Args:
system (System): System object containing 'init', 't_end', and optionally 't_0'.
slope_func (callable): Function that computes slopes.
**options: Additional keyword arguments for scipy.integrate.solve_ivp.
Returns:
tuple: (TimeFrame of results, details from solve_ivp)
Raises:
ValueError: If required system attributes are missing or if the solver fails.
"""
system = remove_units(system)
# make sure `system` contains `init`
if not hasattr(system, "init"):
msg = """It looks like `system` does not contain `init`
as a system variable. `init` should be a State
object that specifies the initial condition:"""
raise ValueError(msg)
# make sure `system` contains `t_end`
if not hasattr(system, "t_end"):
msg = """It looks like `system` does not contain `t_end`
as a system variable. `t_end` should be the
final time:"""
raise ValueError(msg)
# the default value for t_0 is 0
t_0 = getattr(system, "t_0", 0)
# try running the slope function with the initial conditions
try:
slope_func(t_0, system.init, system)
except Exception as e:
msg = """Before running scipy.integrate.solve_ivp, I tried
running the slope function you provided with the
initial conditions in `system` and `t=t_0` and I got
the following error:"""
logger.error(msg)
raise (e)
# get the list of event functions
events = options.get("events", [])
# if there's only one event function, put it in a list
try:
iter(events)
except TypeError:
events = [events]
for event_func in events:
# make events terminal unless otherwise specified
if not hasattr(event_func, "terminal"):
event_func.terminal = True
# test the event function with the initial conditions
try:
event_func(t_0, system.init, system)
except Exception as e:
msg = """Before running scipy.integrate.solve_ivp, I tried
running the event function you provided with the
initial conditions in `system` and `t=t_0` and I got
the following error:"""
logger.error(msg)
raise (e)
# get dense output unless otherwise specified
if not "t_eval" in options:
underride(options, dense_output=True)
# run the solver
bunch = solve_ivp(
slope_func, [t_0, system.t_end], system.init, args=[system], **options
)
# separate the results from the details
y = bunch.pop("y")
t = bunch.pop("t")
# get the column names from `init`, if possible
if hasattr(system.init, "index"):
columns = system.init.index
else:
columns = range(len(system.init))
# evaluate the results at equally-spaced points
if options.get("dense_output", False):
try:
num = system.num
except AttributeError:
num = 101
t_final = t[-1]
t_array = linspace(t_0, t_final, num)
y_array = bunch.sol(t_array)
# pack the results into a TimeFrame
results = TimeFrame(y_array.T, index=t_array, columns=columns)
else:
results = TimeFrame(y.T, index=t, columns=columns)
return results, bunch
def leastsq(error_func, x0, *args, **options):
"""Find the parameters that yield the best fit for the data using least squares.
Args:
error_func (callable): Function that computes a sequence of errors.
x0 (array-like): Initial guess for the best parameters.
*args: Additional positional arguments passed to error_func.
**options: Additional keyword arguments passed to scipy.optimize.leastsq.
Returns:
tuple: (best_params, details)
best_params: Best-fit parameters (same type as x0 if possible).
details: SimpleNamespace with fit details and success flag.
"""
# override `full_output` so we get a message if something goes wrong
options["full_output"] = True
# run leastsq
t = scipy.optimize.leastsq(error_func, x0=x0, args=args, **options)
best_params, cov_x, infodict, mesg, ier = t
# pack the results into a ModSimSeries object
details = SimpleNamespace(cov_x=cov_x, mesg=mesg, ier=ier, **infodict)
details.success = details.ier in [1, 2, 3, 4]
# if we got a Params object, we should return a Params object
if isinstance(x0, Params):
best_params = Params(pd.Series(best_params, x0.index))
# return the best parameters and details
return best_params, details
def crossings(series, value):
"""Find the labels where the series passes through a given value.
Args:
series (pd.Series): Series with increasing numerical index.
value (float): Value to find crossings for.
Returns:
np.ndarray: Array of labels where the series crosses the value.
"""
values = series.values - value
interp = InterpolatedUnivariateSpline(series.index, values)
return interp.roots()
def has_nan(a):
"""Check whether an array or Series contains any NaNs.
Args:
a (array-like): NumPy array or Pandas Series.
Returns:
bool: True if any NaNs are present, False otherwise.
"""
return np.any(np.isnan(a))
def is_strictly_increasing(a):
"""Check whether the elements of an array are strictly increasing.
Args:
a (array-like): NumPy array or Pandas Series.
Returns:
bool: True if strictly increasing, False otherwise.
"""
return np.all(np.diff(a) > 0)
def interpolate(series, **options):
"""Create an interpolation function from a Series.
Args:
series (pd.Series): Series object with strictly increasing index.
**options: Additional keyword arguments for scipy.interpolate.interp1d.
Returns:
callable: Function that maps from the index to the values.
Raises:
ValueError: If the index contains NaNs or is not strictly increasing.
"""
if has_nan(series.index):
msg = """The Series you passed to interpolate contains
NaN values in the index, which would result in
undefined behavior. So I'm putting a stop to that."""
raise ValueError(msg)
if not is_strictly_increasing(series.index):
msg = """The Series you passed to interpolate has an index
that is not strictly increasing, which would result in
undefined behavior. So I'm putting a stop to that."""
raise ValueError(msg)
# make the interpolate function extrapolate past the ends of
# the range, unless `options` already specifies a value for `fill_value`
underride(options, fill_value="extrapolate")
# call interp1d, which returns a new function object
x = series.index
y = series.values
interp_func = interp1d(x, y, **options)
return interp_func
def interpolate_inverse(series, **options):
"""Interpolate the inverse function of a Series.
Args:
series (pd.Series): Series representing a mapping from a to b.
**options: Additional keyword arguments for scipy.interpolate.interp1d.
Returns:
callable: Interpolation object, can be used as a function from b to a.
"""
inverse = pd.Series(series.index, index=series.values)
interp_func = interpolate(inverse, **options)
return interp_func
def gradient(series, **options):
"""Computes the numerical derivative of a series.
If the elements of series have units, they are dropped.
Args:
series (pd.Series): Series object.
**options: Additional keyword arguments for np.gradient.
Returns:
pd.Series: Series with the same subclass as the input.
Raises:
ValueError: If series is not a pandas Series
"""
if not isinstance(series, pd.Series):
raise ValueError("series must be a pandas Series")
x = series.index
y = series.values
a = np.gradient(y, x, **options)
return series.__class__(a, series.index)
def source_code(obj):
"""Print the source code for a given object.
Args:
obj (object): Function or method object to print source for.
"""
print(inspect.getsource(obj))
def underride(d, **options):
"""Add key-value pairs to d only if key is not in d.
If d is None, create a new dictionary.
Args:
d (dict): Dictionary to update.
**options: Keyword arguments to add to d.
Returns:
dict: Updated dictionary.
"""
if d is None:
d = {}
for key, val in options.items():
d.setdefault(key, val)
return d
def contour(df, **options):
"""Makes a contour plot from a DataFrame.
Wrapper for plt.contour
https://matplotlib.org/3.1.0/api/_as_gen/matplotlib.pyplot.contour.html
Note: columns and index must be numerical
Args:
df (pd.DataFrame): DataFrame to plot.
**options: Additional keyword arguments for plt.contour.
"""
fontsize = options.pop("fontsize", 12)
underride(options, cmap="viridis")
x = df.columns
y = df.index
X, Y = np.meshgrid(x, y)
cs = plt.contour(X, Y, df, **options)
plt.clabel(cs, inline=1, fontsize=fontsize)
def savefig(filename, **options):
"""Save the current figure.
Keyword arguments are passed along to plt.savefig
https://matplotlib.org/api/_as_gen/matplotlib.pyplot.savefig.html
Args:
filename (str): Name of the file to save the figure to.
**options: Additional keyword arguments for plt.savefig.
"""
print("Saving figure to file", filename)
plt.savefig(filename, **options)
def decorate(**options):
"""Decorate the current axes.
Call decorate with keyword arguments like
decorate(title='Title',
xlabel='x',
ylabel='y')
The keyword arguments can be any of the axis properties
https://matplotlib.org/api/axes_api.html
Args:
**options: Keyword arguments for axis properties.
"""
ax = plt.gca()
ax.set(**options)
handles, labels = ax.get_legend_handles_labels()
if handles:
ax.legend(handles, labels)
plt.tight_layout()
def remove_from_legend(bad_labels):
"""Remove specified labels from the current plot legend.
Args:
bad_labels (list): Sequence of label strings to remove from the legend.
"""
ax = plt.gca()
handles, labels = ax.get_legend_handles_labels()
handle_list, label_list = [], []
for handle, label in zip(handles, labels):
if label not in bad_labels:
handle_list.append(handle)
label_list.append(label)
ax.legend(handle_list, label_list)
class SettableNamespace(SimpleNamespace):
"""Contains a collection of parameters.
Used to make a System object.
Takes keyword arguments and stores them as attributes.
"""
def __init__(self, namespace=None, **kwargs):
"""Initialize a SettableNamespace.
Args:
namespace (SettableNamespace, optional): Namespace to copy. Defaults to None.
**kwargs: Keyword arguments to store as attributes.
"""
super().__init__()
if namespace:
self.__dict__.update(namespace.__dict__)
self.__dict__.update(kwargs)
def get(self, name, default=None):
"""Look up a variable.
Args:
name (str): Name of the variable to look up.
default (any, optional): Value returned if `name` is not present. Defaults to None.
Returns:
any: Value of the variable or default.
"""
try:
return self.__getattribute__(name, default)
except AttributeError:
return default
def set(self, **variables):
"""Make a copy and update the given variables.
Args:
**variables: Keyword arguments to update.
Returns:
Params: New Params object with updated variables.
"""
new = copy(self)
new.__dict__.update(variables)
return new
def magnitude(x):
"""Return the magnitude of a Quantity or number.
Args:
x (object): Quantity or number.
Returns:
float: Magnitude as a plain number.
"""
return x.magnitude if hasattr(x, "magnitude") else x
def remove_units(namespace):
"""Remove units from the values in a Namespace (top-level only).
Args:
namespace (object): Namespace with attributes.
Returns:
object: New Namespace object with units removed from values.
"""
res = copy(namespace)
for label, value in res.__dict__.items():
if isinstance(value, pd.Series):
value = remove_units_series(value)
res.__dict__[label] = magnitude(value)
return res
def remove_units_series(series):
"""Remove units from the values in a Series (top-level only).
Args:
series (pd.Series): Series with possible units.
Returns:
pd.Series: New Series object with units removed from values.
"""
res = copy(series)
for label, value in res.items():
res[label] = magnitude(value)
return res
class System(SettableNamespace):
"""Contains system parameters and their values.
Takes keyword arguments and stores them as attributes.
"""
pass
class Params(SettableNamespace):
"""Contains system parameters and their values.
Takes keyword arguments and stores them as attributes.
"""
pass
def State(**variables):
"""Contains the values of state variables.
Args:
**variables: Keyword arguments to store as state variables.
Returns:
pd.Series: Series with the state variables.
"""
return pd.Series(variables, name="state")
def make_series(x, y, **options):
"""Make a Pandas Series.
Args:
x (sequence): Sequence used as the index.
y (sequence): Sequence used as the values.
**options: Additional keyword arguments for pd.Series.
Returns:
pd.Series: Pandas Series.
Raises:
ValueError: If x or y are not array-like or have different lengths
"""
validate_array_like(x, "x")
validate_array_like(y, "y")
if len(x) != len(y):
raise ValueError("x and y must have the same length")
underride(options, name="values")
if isinstance(y, pd.Series):
y = y.values
series = pd.Series(y, index=x, **options)
series.index.name = "index"
return series
def TimeSeries(*args, **kwargs):
"""Make a pd.Series object to represent a time series.
Args:
*args: Arguments passed to pd.Series.
**kwargs: Keyword arguments passed to pd.Series.
Returns:
pd.Series: Series with index name 'Time' and name 'Quantity'.
"""
if args or kwargs:
underride(kwargs, dtype=float)
series = pd.Series(*args, **kwargs)
else:
series = pd.Series([], dtype=float)
series.index.name = "Time"
if "name" not in kwargs:
series.name = "Quantity"
return series
def SweepSeries(*args, **kwargs):
"""Make a pd.Series object to store results from a parameter sweep.
Args:
*args: Arguments passed to pd.Series.
**kwargs: Keyword arguments passed to pd.Series.
Returns:
pd.Series: Series with index name 'Parameter' and name 'Metric'.
"""
if args or kwargs:
underride(kwargs, dtype=float)
series = pd.Series(*args, **kwargs)
else:
series = pd.Series([], dtype=np.float64)
series.index.name = "Parameter"
if "name" not in kwargs:
series.name = "Metric"
return series
def show(obj):
"""Display a Series or Namespace as a DataFrame.
Args:
obj (object): Series or Namespace to display.
Returns:
pd.DataFrame: DataFrame representation of the object.
"""
if isinstance(obj, pd.Series):
df = pd.DataFrame(obj)
return df
elif hasattr(obj, "__dict__"):
return pd.DataFrame(pd.Series(obj.__dict__), columns=["value"])
else:
return obj
def TimeFrame(*args, **kwargs):
"""Create a DataFrame that maps from time to State.
Args:
*args: Arguments passed to pd.DataFrame.
**kwargs: Keyword arguments passed to pd.DataFrame.
Returns:
pd.DataFrame: DataFrame indexed by time.
"""
underride(kwargs, dtype=float)
return pd.DataFrame(*args, **kwargs)
def SweepFrame(*args, **kwargs):
"""Create a DataFrame that maps from parameter value to SweepSeries.
Args:
*args: Arguments passed to pd.DataFrame.
**kwargs: Keyword arguments passed to pd.DataFrame.
Returns:
pd.DataFrame: DataFrame indexed by parameter value.
"""
underride(kwargs, dtype=float)
return pd.DataFrame(*args, **kwargs)
def Vector(x, y, z=None, **options):
"""Create a 2D or 3D vector as a pandas Series.
Args:
x (float): x component.
y (float): y component.
z (float, optional): z component. Defaults to None.
**options: Additional keyword arguments for pandas.Series.
Returns:
pd.Series: Series with keys 'x', 'y', and optionally 'z'.
"""
underride(options, name="component")
if z is None:
return pd.Series(dict(x=x, y=y), **options)
else:
return pd.Series(dict(x=x, y=y, z=z), **options)
## Vector functions (should work with any sequence)
def vector_mag(v):
"""Vector magnitude.
Args:
v (array-like): Vector.
Returns:
float: Magnitude of the vector.
Raises:
ValueError: If v is not array-like or is empty
"""
validate_array_like(v, "v")
if len(v) == 0:
raise ValueError("Vector cannot be empty")
return np.sqrt(np.dot(v, v))
def vector_mag2(v):
"""Vector magnitude squared.
Args:
v (array-like): Vector.
Returns:
float: Magnitude squared of the vector.
Raises:
ValueError: If v is not array-like or is empty
"""
validate_array_like(v, "v")
if len(v) == 0:
raise ValueError("Vector cannot be empty")
return np.dot(v, v)
def vector_angle(v):
"""Angle between v and the positive x axis.
Only works with 2-D vectors.
Args:
v (array-like): 2-D vector.
Returns:
float: Angle in radians.
Raises:
ValueError: If v is not array-like or is not 2D
"""
validate_array_like(v, "v")
if len(v) != 2:
raise ValueError("vector_angle only works with 2D vectors")
x, y = v
return np.arctan2(y, x)
def vector_polar(v):
"""Vector magnitude and angle.
Args: