Merge remote-tracking branch 'refs/remotes/origin/master'
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This commit is contained in:
Deepak Mallubhotla 2024-07-10 10:56:47 -05:00
commit 2c65e2a984
Signed by: deepak
GPG Key ID: 976F3357369149AB
10 changed files with 2885 additions and 173 deletions

1
.gitignore vendored
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@ -147,3 +147,4 @@ cython_debug/
# just a local scripts dir for us to be able to run things in
local_scripts/

View File

@ -16,4 +16,4 @@ Build with `just`, preferred over `do.sh` I think.
## CLI
the json files for dots and dipoles have a specific format that ignores extraneous data but is sad about missing fields.
The json files for dots and dipoles have a specific format that ignores extraneous data but is sad about missing fields.

20
flake.lock generated
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@ -39,6 +39,7 @@
"nix-github-actions": {
"inputs": {
"nixpkgs": [
"poetry2nixSrc",
"nixpkgs"
]
},
@ -58,11 +59,11 @@
},
"nixpkgs": {
"locked": {
"lastModified": 1716715802,
"narHash": "sha256-usk0vE7VlxPX8jOavrtpOqphdfqEQpf9lgedlY/r66c=",
"lastModified": 1719468428,
"narHash": "sha256-vN5xJAZ4UGREEglh3lfbbkIj+MPEYMuqewMn4atZFaQ=",
"owner": "NixOS",
"repo": "nixpkgs",
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"type": "github"
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"original": {
@ -83,11 +84,11 @@
"treefmt-nix": "treefmt-nix"
},
"locked": {
"lastModified": 1716813403,
"narHash": "sha256-9+G8tEOh3QkjSUV2UMC+TpvzKOR8IUFlkJJTMpVQMkc=",
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"narHash": "sha256-efvBV+45uQA6r7aov48H6MhvKp1QUIyIX5gh9oueUzs=",
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@ -150,15 +151,16 @@
"treefmt-nix": {
"inputs": {
"nixpkgs": [
"poetry2nixSrc",
"nixpkgs"
]
},
"locked": {
"lastModified": 1715940852,
"narHash": "sha256-wJqHMg/K6X3JGAE9YLM0LsuKrKb4XiBeVaoeMNlReZg=",
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545
poetry.lock generated
View File

@ -1,5 +1,23 @@
# This file is automatically @generated by Poetry 1.8.3 and should not be changed by hand.
[[package]]
name = "asttokens"
version = "2.4.1"
description = "Annotate AST trees with source code positions"
optional = false
python-versions = "*"
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[package.extras]
astroid = ["astroid (>=1,<2)", "astroid (>=2,<4)"]
test = ["astroid (>=1,<2)", "astroid (>=2,<4)", "pytest"]
[[package]]
name = "black"
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@ -125,63 +143,63 @@ test-no-images = ["pytest", "pytest-cov", "pytest-xdist", "wurlitzer"]
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[[package]]
name = "packaging"
version = "24.0"
version = "24.1"
description = "Core utilities for Python packages"
optional = false
python-versions = ">=3.7"
python-versions = ">=3.8"
files = [
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[[package]]
name = "parso"
version = "0.8.4"
description = "A Python Parser"
optional = false
python-versions = ">=3.6"
files = [
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[package.extras]
qa = ["flake8 (==5.0.4)", "mypy (==0.971)", "types-setuptools (==67.2.0.1)"]
testing = ["docopt", "pytest"]
[[package]]
name = "pathspec"
version = "0.12.1"
@ -618,6 +754,20 @@ files = [
{file = "pathspec-0.12.1.tar.gz", hash = "sha256:a482d51503a1ab33b1c67a6c3813a26953dbdc71c31dacaef9a838c4e29f5712"},
]
[[package]]
name = "pexpect"
version = "4.9.0"
description = "Pexpect allows easy control of interactive console applications."
optional = false
python-versions = "*"
files = [
{file = "pexpect-4.9.0-py2.py3-none-any.whl", hash = "sha256:7236d1e080e4936be2dc3e326cec0af72acf9212a7e1d060210e70a47e253523"},
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]
[package.dependencies]
ptyprocess = ">=0.5"
[[package]]
name = "pillow"
version = "10.3.0"
@ -706,18 +856,19 @@ xmp = ["defusedxml"]
[[package]]
name = "platformdirs"
version = "4.2.0"
description = "A small Python package for determining appropriate platform-specific dirs, e.g. a \"user data dir\"."
version = "4.2.2"
description = "A small Python package for determining appropriate platform-specific dirs, e.g. a `user data dir`."
optional = false
python-versions = ">=3.8"
files = [
{file = "platformdirs-4.2.0-py3-none-any.whl", hash = "sha256:0614df2a2f37e1a662acbd8e2b25b92ccf8632929bc6d43467e17fe89c75e068"},
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[package.extras]
docs = ["furo (>=2023.9.10)", "proselint (>=0.13)", "sphinx (>=7.2.6)", "sphinx-autodoc-typehints (>=1.25.2)"]
test = ["appdirs (==1.4.4)", "covdefaults (>=2.3)", "pytest (>=7.4.3)", "pytest-cov (>=4.1)", "pytest-mock (>=3.12)"]
type = ["mypy (>=1.8)"]
[[package]]
name = "pluggy"
@ -734,6 +885,45 @@ files = [
dev = ["pre-commit", "tox"]
testing = ["pytest", "pytest-benchmark"]
[[package]]
name = "prompt-toolkit"
version = "3.0.47"
description = "Library for building powerful interactive command lines in Python"
optional = false
python-versions = ">=3.7.0"
files = [
{file = "prompt_toolkit-3.0.47-py3-none-any.whl", hash = "sha256:0d7bfa67001d5e39d02c224b663abc33687405033a8c422d0d675a5a13361d10"},
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]
[package.dependencies]
wcwidth = "*"
[[package]]
name = "ptyprocess"
version = "0.7.0"
description = "Run a subprocess in a pseudo terminal"
optional = false
python-versions = "*"
files = [
{file = "ptyprocess-0.7.0-py2.py3-none-any.whl", hash = "sha256:4b41f3967fce3af57cc7e94b888626c18bf37a083e3651ca8feeb66d492fef35"},
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]
[[package]]
name = "pure-eval"
version = "0.2.2"
description = "Safely evaluate AST nodes without side effects"
optional = false
python-versions = "*"
files = [
{file = "pure_eval-0.2.2-py3-none-any.whl", hash = "sha256:01eaab343580944bc56080ebe0a674b39ec44a945e6d09ba7db3cb8cec289350"},
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]
[package.extras]
tests = ["pytest"]
[[package]]
name = "pycodestyle"
version = "2.8.0"
@ -756,6 +946,20 @@ files = [
{file = "pyflakes-2.4.0.tar.gz", hash = "sha256:05a85c2872edf37a4ed30b0cce2f6093e1d0581f8c19d7393122da7e25b2b24c"},
]
[[package]]
name = "pygments"
version = "2.18.0"
description = "Pygments is a syntax highlighting package written in Python."
optional = false
python-versions = ">=3.8"
files = [
{file = "pygments-2.18.0-py3-none-any.whl", hash = "sha256:b8e6aca0523f3ab76fee51799c488e38782ac06eafcf95e7ba832985c8e7b13a"},
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]
[package.extras]
windows-terminal = ["colorama (>=0.4.6)"]
[[package]]
name = "pyparsing"
version = "3.1.2"
@ -772,13 +976,13 @@ diagrams = ["jinja2", "railroad-diagrams"]
[[package]]
name = "pytest"
version = "8.1.1"
version = "8.2.2"
description = "pytest: simple powerful testing with Python"
optional = false
python-versions = ">=3.8"
files = [
{file = "pytest-8.1.1-py3-none-any.whl", hash = "sha256:2a8386cfc11fa9d2c50ee7b2a57e7d898ef90470a7a34c4b949ff59662bb78b7"},
{file = "pytest-8.1.1.tar.gz", hash = "sha256:ac978141a75948948817d360297b7aae0fcb9d6ff6bc9ec6d514b85d5a65c044"},
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]
[package.dependencies]
@ -786,11 +990,11 @@ colorama = {version = "*", markers = "sys_platform == \"win32\""}
exceptiongroup = {version = ">=1.0.0rc8", markers = "python_version < \"3.11\""}
iniconfig = "*"
packaging = "*"
pluggy = ">=1.4,<2.0"
pluggy = ">=1.5,<2.0"
tomli = {version = ">=1", markers = "python_version < \"3.11\""}
[package.extras]
testing = ["argcomplete", "attrs (>=19.2)", "hypothesis (>=3.56)", "mock", "pygments (>=2.7.2)", "requests", "setuptools", "xmlschema"]
dev = ["argcomplete", "attrs (>=19.2)", "hypothesis (>=3.56)", "mock", "pygments (>=2.7.2)", "requests", "setuptools", "xmlschema"]
[[package]]
name = "pytest-cov"
@ -873,6 +1077,25 @@ files = [
{file = "six-1.16.0.tar.gz", hash = "sha256:1e61c37477a1626458e36f7b1d82aa5c9b094fa4802892072e49de9c60c4c926"},
]
[[package]]
name = "stack-data"
version = "0.6.3"
description = "Extract data from python stack frames and tracebacks for informative displays"
optional = false
python-versions = "*"
files = [
{file = "stack_data-0.6.3-py3-none-any.whl", hash = "sha256:d5558e0c25a4cb0853cddad3d77da9891a08cb85dd9f9f91b9f8cd66e511e695"},
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]
[package.dependencies]
asttokens = ">=2.1.0"
executing = ">=1.2.0"
pure-eval = "*"
[package.extras]
tests = ["cython", "littleutils", "pygments", "pytest", "typeguard"]
[[package]]
name = "syrupy"
version = "4.6.1"
@ -898,33 +1121,59 @@ files = [
{file = "tomli-2.0.1.tar.gz", hash = "sha256:de526c12914f0c550d15924c62d72abc48d6fe7364aa87328337a31007fe8a4f"},
]
[[package]]
name = "traitlets"
version = "5.14.3"
description = "Traitlets Python configuration system"
optional = false
python-versions = ">=3.8"
files = [
{file = "traitlets-5.14.3-py3-none-any.whl", hash = "sha256:b74e89e397b1ed28cc831db7aea759ba6640cb3de13090ca145426688ff1ac4f"},
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]
[package.extras]
docs = ["myst-parser", "pydata-sphinx-theme", "sphinx"]
test = ["argcomplete (>=3.0.3)", "mypy (>=1.7.0)", "pre-commit", "pytest (>=7.0,<8.2)", "pytest-mock", "pytest-mypy-testing"]
[[package]]
name = "typing-extensions"
version = "4.11.0"
version = "4.12.2"
description = "Backported and Experimental Type Hints for Python 3.8+"
optional = false
python-versions = ">=3.8"
files = [
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name = "wcwidth"
version = "0.2.13"
description = "Measures the displayed width of unicode strings in a terminal"
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python-versions = "*"
files = [
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name = "zipp"
version = "3.19.0"
version = "3.19.2"
description = "Backport of pathlib-compatible object wrapper for zip files"
optional = false
python-versions = ">=3.8"
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docs = ["furo", "jaraco.packaging (>=9.3)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-lint"]
testing = ["big-O", "jaraco.functools", "jaraco.itertools", "jaraco.test", "more-itertools", "pytest (>=6,!=8.1.*)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=2.2)", "pytest-ignore-flaky", "pytest-mypy", "pytest-ruff (>=0.2.1)"]
doc = ["furo", "jaraco.packaging (>=9.3)", "jaraco.tidelift (>=1.4)", "rst.linker (>=1.9)", "sphinx (>=3.5)", "sphinx-lint"]
test = ["big-O", "importlib-resources", "jaraco.functools", "jaraco.itertools", "jaraco.test", "more-itertools", "pytest (>=6,!=8.1.*)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=2.2)", "pytest-ignore-flaky", "pytest-mypy", "pytest-ruff (>=0.2.1)"]
[metadata]
lock-version = "2.0"
python-versions = ">=3.9,<3.10"
content-hash = "872b3583d0fd4cfdd9ce8449ba50feb0deb575e8ac7453a777d9cb2d5a69eb4d"
content-hash = "5bfa5aed1086efa011fcb18206b79ef04aff5dc443b45278bdcf01f9b0e25b72"

View File

@ -20,6 +20,7 @@ mypy = "^0.961"
black = "^22.3.0"
syrupy = "^4.0.8"
matplotlib = "^3.9.0"
ipython = ">=7"
[build-system]
requires = ["poetry-core>=1.0.0"]

View File

@ -6,6 +6,7 @@ import tantri.cli.input_files.write_dipoles
import tantri.cli.file_importer
import json
import tantri.dipoles
import tantri.dipoles.event_time_series
import pathlib
@ -97,6 +98,9 @@ def cli(log, log_file):
required=True,
)
@click.option("--header-row/--no-header-row", default=False, help="Write a header row")
@click.option(
"--event-based/--no-event-based", default=False, help="Use new event-based method"
)
def write_time_series(
dipoles_file,
dots_file,
@ -106,6 +110,7 @@ def write_time_series(
time_series_rng_seed,
output_file,
header_row,
event_based,
):
"""
Generate a time series for the passed in parameters.
@ -119,6 +124,7 @@ def write_time_series(
time_series_rng_seed,
output_file,
header_row,
event_based,
)
@ -131,6 +137,7 @@ def _write_time_series(
time_series_rng_seed,
output_file,
header_row,
new_method,
):
_logger.debug(
f"Received parameters [dipoles_file: {dipoles_file}] and [dots_file: {dots_file}]"
@ -156,6 +163,25 @@ def _write_time_series(
f"Going to simulate {num_iterations} iterations with a delta t of {delta_t}"
)
if new_method:
_logger.info("Using new method")
_logger.debug(f"Got seed {time_series_rng_seed}")
if time_series_rng_seed is None:
time_series = tantri.dipoles.event_time_series.EventDipoleTimeSeries(
dipoles, dots, measurement_enum, delta_t, num_iterations
)
else:
rng = numpy.random.default_rng(time_series_rng_seed)
time_series = tantri.dipoles.event_time_series.EventDipoleTimeSeries(
dipoles, dots, measurement_enum, delta_t, num_iterations, rng
)
output_series = time_series.create_time_series()
for time, time_series_dict in output_series:
values = ", ".join(str(time_series_dict[label]) for label in labels)
out.write(f"{time}, {values}\n")
else:
# in the old method
_logger.debug(f"Got seed {time_series_rng_seed}")
if time_series_rng_seed is None:
time_series = tantri.dipoles.DipoleTimeSeries(
@ -169,7 +195,9 @@ def _write_time_series(
for i in range(num_iterations):
transition = time_series.transition()
transition_values = ", ".join(str(transition[label]) for label in labels)
transition_values = ", ".join(
str(transition[label]) for label in labels
)
out.write(f"{i * delta_t}, {transition_values}\n")

View File

@ -0,0 +1,154 @@
import numpy.random
from typing import Callable, Sequence, Tuple, Optional, Dict, List
from dataclasses import dataclass
from tantri.dipoles.types import DipoleTO, DotPosition, DipoleMeasurementType
import logging
_logger = logging.getLogger(__name__)
@dataclass
class EventWrappedDipole:
# assumed len 3
p: numpy.ndarray
s: numpy.ndarray
# should be 1/tau up to some pis
w: float
# For caching purposes tell each dipole where the dots are
# TODO: This can be done better by only passing into the time series the non-repeated p s and w,
# TODO: and then creating a new wrapper type to include all the cached stuff.
# TODO: Realistically, the dot positions and measurement type data should live in the time series.
dot_positions: Sequence[DotPosition]
measurement_type: DipoleMeasurementType
def __post_init__(self) -> None:
"""
Coerce the inputs into numpy arrays.
"""
self.p = numpy.array(self.p)
self.s = numpy.array(self.s)
self.state = 1
self.cache = {}
for pos in self.dot_positions:
if self.measurement_type is DipoleMeasurementType.ELECTRIC_POTENTIAL:
self.cache[pos.label] = self.potential(pos)
elif self.measurement_type is DipoleMeasurementType.X_ELECTRIC_FIELD:
self.cache[pos.label] = self.e_field_x(pos)
def potential(self, dot: DotPosition) -> float:
# let's assume single dot at origin for now
r_diff = self.s - dot.r
return self.p.dot(r_diff) / (numpy.linalg.norm(r_diff) ** 3)
def e_field_x(self, dot: DotPosition) -> float:
# let's assume single dot at origin for now
r_diff = self.s - dot.r
norm = numpy.linalg.norm(r_diff)
return (
((3 * self.p.dot(r_diff) * r_diff / (norm**2)) - self.p) / (norm**3)
)[0]
def get_time_series(
self, dt: float, num_samples: int, rng: numpy.random.Generator
) -> Sequence[Tuple[float, Dict[str, float]]]:
_logger.debug(
f"Creating time series with params {dt=}, {num_samples=}, scale={self.w}"
)
raw_time_series = create_exponential_time_series(rng, dt, num_samples, self.w)
output = []
for time, state in raw_time_series:
output.append((time, {k: state * v for k, v in self.cache.items()}))
return output
def get_event_wrapped_dipoles(
dipole_tos: Sequence[DipoleTO],
dots: Sequence[DotPosition],
measurement_type: DipoleMeasurementType,
) -> Sequence[EventWrappedDipole]:
return [
EventWrappedDipole(
p=dipole_to.p,
s=dipole_to.s,
w=dipole_to.w,
dot_positions=dots,
measurement_type=measurement_type,
)
for dipole_to in dipole_tos
]
class EventDipoleTimeSeries:
def __init__(
self,
dipoles: Sequence[DipoleTO],
dots: Sequence[DotPosition],
measurement_type: DipoleMeasurementType,
dt: float,
num_samples: int,
rng_to_use: Optional[numpy.random.Generator] = None,
):
self.rng: numpy.random.Generator
if rng_to_use is None:
self.rng = numpy.random.default_rng()
else:
self.rng = rng_to_use
self.dt = dt
self.num_samples = num_samples
self.dipoles = get_event_wrapped_dipoles(dipoles, dots, measurement_type)
def create_time_series(self) -> Sequence[Tuple[float, Dict[str, float]]]:
collected_dictionary: Dict[float, Dict[str, float]] = {}
_logger.debug("Creating time series")
for dipole in self.dipoles:
_logger.debug(f"Doing dipole {dipole}")
series = dipole.get_time_series(self.dt, self.num_samples, self.rng)
for time, meases in series:
if time in collected_dictionary:
for k, v in meases.items():
collected_dictionary[time][k] += v
else:
collected_dictionary[time] = meases
return [(k, v) for k, v in collected_dictionary.items()]
def get_num_events_before(
rng: numpy.random.Generator, scale: float, total_time: float
) -> Callable[[float], int]:
_logger.debug(
f"Creating the events before function for params {scale=} {total_time=}"
)
event_times: List = []
random_size = max(1, int(total_time // scale))
while sum(event_times) < total_time:
event_times.extend(rng.exponential(scale=scale, size=random_size))
accumulator = 0
scanned_times = [accumulator := accumulator + t for t in event_times]
def num_events_before(time: float) -> int:
return len([t for t in scanned_times if t < time])
return num_events_before
def create_exponential_time_series(
rng: numpy.random.Generator, dt: float, num_samples: int, scale: float
) -> Sequence[Tuple[float, int]]:
_logger.debug("Creating an exponential time series")
total_time = dt * num_samples
_logger.debug(f"Have a total time {total_time}")
events_before = get_num_events_before(rng, scale, total_time)
_logger.debug("Finished getting the events before function")
return [(dt * i, (events_before(dt * i) % 2) * 2 - 1) for i in range(num_samples)]

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@ -21,7 +21,7 @@ class DipoleTO:
class Orientation(str, Enum):
# Enum for orientation, making string for json serialisation purposes
#
# Note that htis might not be infinitely extensible?
# Note that this might not be infinitely extensible?
# https://stackoverflow.com/questions/75040733/is-there-a-way-to-use-strenum-in-earlier-python-versions
XY = "XY"
Z = "Z"

File diff suppressed because it is too large Load Diff

View File

@ -0,0 +1,120 @@
import tantri.dipoles.event_time_series as ets
import numpy.random
import logging
from tantri.dipoles.types import (
DipoleTO,
DotPosition,
DipoleMeasurementType,
)
_logger = logging.getLogger(__name__)
SEED = 12345
def test_event_time_series(snapshot):
_logger.info("testing event time series")
rng = numpy.random.default_rng(SEED)
before_func = ets.get_num_events_before(rng=rng, scale=0.5, total_time=10)
time_series = [(i, before_func(i)) for i in range(10)]
_logger.warning(time_series)
assert time_series == snapshot
def test_event_actual_series(snapshot):
rng = numpy.random.default_rng(SEED)
time_series = ets.create_exponential_time_series(rng, 0.1, 200, 0.5)
assert time_series == snapshot
def test_event_dipoles_collection(snapshot):
rng = numpy.random.default_rng(1234)
dots = [DotPosition(numpy.array([0, 0, 0]), "dot1")]
d1 = DipoleTO(
numpy.array([0, 0, 10]),
numpy.array([5, 3, 2]),
15,
)
d2 = DipoleTO(
numpy.array([0, 0, 10]),
numpy.array([-2, 3, 2]),
0.1,
)
d3 = DipoleTO(
numpy.array([0, 0, 10]),
numpy.array([2, 1, 2]),
6,
)
d4 = DipoleTO(
numpy.array([0, 0, 10]),
numpy.array([-5, -5, 2]),
50,
)
ts_gen = ets.EventDipoleTimeSeries(
[d1, d2, d3, d4],
dots,
DipoleMeasurementType.X_ELECTRIC_FIELD,
0.01,
100,
rng_to_use=rng,
)
time_series = ts_gen.create_time_series()
assert time_series == snapshot
def test_event_dipoles_collection_larger(snapshot):
rng = numpy.random.default_rng(1234)
dots = [
DotPosition(numpy.array([0, 0, 0]), "dot1"),
DotPosition(numpy.array([0, -1, 0]), "dot2"),
]
d1 = DipoleTO(
numpy.array([0, 0, 10]),
numpy.array([5, 3, 2]),
15,
)
d2 = DipoleTO(
numpy.array([0, 0, 10]),
numpy.array([-2, 3, 2]),
0.1,
)
d3 = DipoleTO(
numpy.array([0, 0, 10]),
numpy.array([2, 1, 2]),
6,
)
d4 = DipoleTO(
numpy.array([0, 0, 10]),
numpy.array([-5, -5, 2]),
50,
)
d5 = DipoleTO(
numpy.array([0, 0, 10]),
numpy.array([-2, -2, 1]),
0.01,
)
ts_gen = ets.EventDipoleTimeSeries(
[d1, d2, d3, d4, d5],
dots,
DipoleMeasurementType.X_ELECTRIC_FIELD,
0.01,
100,
rng_to_use=rng,
)
time_series = ts_gen.create_time_series()
assert time_series == snapshot