feat: Adds better diagnostic of full dipole info
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BEBAEBF28083E022
@ -3,6 +3,7 @@ import pdme
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from deepdog.bayes_run import DotInput
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import datetime
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import numpy
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from dataclasses import dataclass
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import logging
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from typing import Sequence, Tuple
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import csv
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@ -16,6 +17,30 @@ def get_a_result(discretisation, dots, index):
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return (index, discretisation.solve_for_index(dots, index))
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@dataclass
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class SingleDipoleDiagnostic():
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model: str
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index: Tuple
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bounds: Tuple
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actual_dipole: OscillatingDipole
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result_dipole: OscillatingDipole
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success: bool
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def __post_init__(self) -> None:
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self.p_actual_x = self.actual_dipole.p[0]
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self.p_actual_y = self.actual_dipole.p[1]
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self.p_actual_z = self.actual_dipole.p[2]
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self.s_actual_x = self.actual_dipole.s[0]
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self.s_actual_y = self.actual_dipole.s[1]
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self.s_actual_z = self.actual_dipole.s[2]
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self.p_result_x = self.result_dipole.p[0]
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self.p_result_y = self.result_dipole.p[1]
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self.p_result_z = self.result_dipole.p[2]
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self.s_result_x = self.result_dipole.s[0]
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self.s_result_y = self.result_dipole.s[1]
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self.s_result_z = self.result_dipole.s[2]
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class Diagnostic():
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'''
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Represents a diagnostic for a single dipole moment given a set of discretisations.
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@ -40,10 +65,10 @@ class Diagnostic():
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self.discretisations_with_names = discretisations_with_names
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self.model_count = len(self.discretisations_with_names)
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self.csv_fields = ["model", "index", "bounds", "actual_dipole_moment", "actual_dipole_position", "actual_dipole_freq", "success", "result"]
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self.csv_fields = ["model", "index", "bounds", "p_actual_x", "p_actual_y", "p_actual_z", "s_actual_x", "s_actual_y", "s_actual_z", "actual_dipole_freq", "success", "p_result_x", "p_result_y", "p_result_z", "s_result_x", "s_result_y", "s_result_z"]
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timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S")
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self.filename = f"{timestamp}-{filename_slug}.csv"
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self.filename = f"{timestamp}-{filename_slug}.diag.csv"
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def go(self):
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with open(self.filename, "a", newline="") as outfile:
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@ -66,15 +91,7 @@ class Diagnostic():
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bounds = discretisation.bounds(idx)
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actual_success = result.success and result.cost <= 1e-10
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row = {
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"model": name,
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"index": idx,
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"bounds": bounds,
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"actual_dipole_moment": self.dipoles.dipoles[0].p,
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"actual_dipole_position": self.dipoles.dipoles[0].s,
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"actual_dipole_freq": self.dipoles.dipoles[0].w,
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"success": actual_success,
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"result": result.normalised_x if actual_success else None,
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}
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diag_row = SingleDipoleDiagnostic(name, idx, bounds, self.dipoles.dipoles[0], discretisation.model.solution_as_dipoles(result.normalised_x), actual_success)
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row = vars(diag_row)
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_logger.debug(f"Writing result {row}")
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writer.writerow(row)
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100
poetry.lock
generated
100
poetry.lock
generated
@ -30,11 +30,11 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
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[[package]]
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name = "coverage"
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version = "6.2"
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version = "6.3.1"
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description = "Code coverage measurement for Python"
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category = "dev"
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optional = false
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python-versions = ">=3.6"
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python-versions = ">=3.7"
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[package.dependencies]
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tomli = {version = "*", optional = true, markers = "extra == \"toml\""}
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@ -117,7 +117,7 @@ pyparsing = ">=2.0.2,<3.0.5 || >3.0.5"
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[[package]]
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name = "pdme"
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version = "0.4.1"
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version = "0.5.0"
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description = "Python dipole model evaluator"
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category = "main"
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optional = false
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@ -248,7 +248,7 @@ python-versions = ">=3.6"
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[metadata]
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lock-version = "1.1"
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python-versions = "^3.8,<3.10"
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content-hash = "d0cc6fcaa5f489054917fd097c7f86bb314b4f7b76c14cddecb9cd9ef1a24d72"
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content-hash = "783e64d96cac128430eb53d6ccee9c5e5693a6be7670c9b403b3322530c9b0cb"
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[metadata.files]
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atomicwrites = [
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@ -264,53 +264,47 @@ colorama = [
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]
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coverage = [
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||||
{file = "coverage-6.3.1-cp37-cp37m-musllinux_1_1_i686.whl", hash = "sha256:fac0bcc5b7e8169bffa87f0dcc24435446d329cbc2b5486d155c2e0f3b493ae1"},
|
||||
{file = "coverage-6.3.1-cp37-cp37m-musllinux_1_1_x86_64.whl", hash = "sha256:72128176fea72012063200b7b395ed8a57849282b207321124d7ff14e26988e8"},
|
||||
{file = "coverage-6.3.1-cp37-cp37m-win32.whl", hash = "sha256:1bc6d709939ff262fd1432f03f080c5042dc6508b6e0d3d20e61dd045456a1a0"},
|
||||
{file = "coverage-6.3.1-cp37-cp37m-win_amd64.whl", hash = "sha256:618eeba986cea7f621d8607ee378ecc8c2504b98b3fdc4952b30fe3578304687"},
|
||||
{file = "coverage-6.3.1-cp38-cp38-macosx_10_9_x86_64.whl", hash = "sha256:d5ed164af5c9078596cfc40b078c3b337911190d3faeac830c3f1274f26b8320"},
|
||||
{file = "coverage-6.3.1-cp38-cp38-macosx_11_0_arm64.whl", hash = "sha256:352c68e233409c31048a3725c446a9e48bbff36e39db92774d4f2380d630d8f8"},
|
||||
{file = "coverage-6.3.1-cp38-cp38-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:448d7bde7ceb6c69e08474c2ddbc5b4cd13c9e4aa4a717467f716b5fc938a734"},
|
||||
{file = "coverage-6.3.1-cp38-cp38-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl", hash = "sha256:9fde6b90889522c220dd56a670102ceef24955d994ff7af2cb786b4ba8fe11e4"},
|
||||
{file = "coverage-6.3.1-cp38-cp38-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:e647a0be741edbb529a72644e999acb09f2ad60465f80757da183528941ff975"},
|
||||
{file = "coverage-6.3.1-cp38-cp38-musllinux_1_1_aarch64.whl", hash = "sha256:6a5cdc3adb4f8bb8d8f5e64c2e9e282bc12980ef055ec6da59db562ee9bdfefa"},
|
||||
{file = "coverage-6.3.1-cp38-cp38-musllinux_1_1_i686.whl", hash = "sha256:2dd70a167843b4b4b2630c0c56f1b586fe965b4f8ac5da05b6690344fd065c6b"},
|
||||
{file = "coverage-6.3.1-cp38-cp38-musllinux_1_1_x86_64.whl", hash = "sha256:9ad0a117b8dc2061ce9461ea4c1b4799e55edceb236522c5b8f958ce9ed8fa9a"},
|
||||
{file = "coverage-6.3.1-cp38-cp38-win32.whl", hash = "sha256:e92c7a5f7d62edff50f60a045dc9542bf939758c95b2fcd686175dd10ce0ed10"},
|
||||
{file = "coverage-6.3.1-cp38-cp38-win_amd64.whl", hash = "sha256:482fb42eea6164894ff82abbcf33d526362de5d1a7ed25af7ecbdddd28fc124f"},
|
||||
{file = "coverage-6.3.1-cp39-cp39-macosx_10_9_x86_64.whl", hash = "sha256:c5b81fb37db76ebea79aa963b76d96ff854e7662921ce742293463635a87a78d"},
|
||||
{file = "coverage-6.3.1-cp39-cp39-macosx_11_0_arm64.whl", hash = "sha256:a4f923b9ab265136e57cc14794a15b9dcea07a9c578609cd5dbbfff28a0d15e6"},
|
||||
{file = "coverage-6.3.1-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:56d296cbc8254a7dffdd7bcc2eb70be5a233aae7c01856d2d936f5ac4e8ac1f1"},
|
||||
{file = "coverage-6.3.1-cp39-cp39-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl", hash = "sha256:1245ab82e8554fa88c4b2ab1e098ae051faac5af829efdcf2ce6b34dccd5567c"},
|
||||
{file = "coverage-6.3.1-cp39-cp39-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:3f2b05757c92ad96b33dbf8e8ec8d4ccb9af6ae3c9e9bd141c7cc44d20c6bcba"},
|
||||
{file = "coverage-6.3.1-cp39-cp39-musllinux_1_1_aarch64.whl", hash = "sha256:9e3dd806f34de38d4c01416344e98eab2437ac450b3ae39c62a0ede2f8b5e4ed"},
|
||||
{file = "coverage-6.3.1-cp39-cp39-musllinux_1_1_i686.whl", hash = "sha256:d651fde74a4d3122e5562705824507e2f5b2d3d57557f1916c4b27635f8fbe3f"},
|
||||
{file = "coverage-6.3.1-cp39-cp39-musllinux_1_1_x86_64.whl", hash = "sha256:704f89b87c4f4737da2860695a18c852b78ec7279b24eedacab10b29067d3a38"},
|
||||
{file = "coverage-6.3.1-cp39-cp39-win32.whl", hash = "sha256:2aed4761809640f02e44e16b8b32c1a5dee5e80ea30a0ff0912158bde9c501f2"},
|
||||
{file = "coverage-6.3.1-cp39-cp39-win_amd64.whl", hash = "sha256:9976fb0a5709988778ac9bc44f3d50fccd989987876dfd7716dee28beed0a9fa"},
|
||||
{file = "coverage-6.3.1-pp36.pp37.pp38-none-any.whl", hash = "sha256:463e52616ea687fd323888e86bf25e864a3cc6335a043fad6bbb037dbf49bbe2"},
|
||||
{file = "coverage-6.3.1.tar.gz", hash = "sha256:6c3f6158b02ac403868eea390930ae64e9a9a2a5bbfafefbb920d29258d9f2f8"},
|
||||
]
|
||||
flake8 = [
|
||||
{file = "flake8-4.0.1-py2.py3-none-any.whl", hash = "sha256:479b1304f72536a55948cb40a32dce8bb0ffe3501e26eaf292c7e60eb5e0428d"},
|
||||
@ -379,8 +373,8 @@ packaging = [
|
||||
{file = "packaging-21.3.tar.gz", hash = "sha256:dd47c42927d89ab911e606518907cc2d3a1f38bbd026385970643f9c5b8ecfeb"},
|
||||
]
|
||||
pdme = [
|
||||
{file = "pdme-0.4.1-py3-none-any.whl", hash = "sha256:c8a6b6a9755094a89f55a46b42ba2531424805747b8e23e078928c880721d84f"},
|
||||
{file = "pdme-0.4.1.tar.gz", hash = "sha256:9c892b23462d87f745735a6cd73346831a1fcb765a1c542dda5909f47b23fc7b"},
|
||||
{file = "pdme-0.5.0-py3-none-any.whl", hash = "sha256:03f54d50f87faabaad31d0eb63cf2949bbdc5fca753bdefadfb473a5880fdb16"},
|
||||
{file = "pdme-0.5.0.tar.gz", hash = "sha256:701aa455d10835582d41144ce8b06f7f3d87a23cd84abff61d81677ab0e8c9c5"},
|
||||
]
|
||||
pluggy = [
|
||||
{file = "pluggy-1.0.0-py2.py3-none-any.whl", hash = "sha256:74134bbf457f031a36d68416e1509f34bd5ccc019f0bcc952c7b909d06b37bd3"},
|
||||
|
||||
@ -6,7 +6,7 @@ authors = ["Deepak Mallubhotla <dmallubhotla+github@gmail.com>"]
|
||||
|
||||
[tool.poetry.dependencies]
|
||||
python = "^3.8,<3.10"
|
||||
pdme = "^0.4.1"
|
||||
pdme = "^0.5.0"
|
||||
|
||||
[tool.poetry.dev-dependencies]
|
||||
pytest = ">=6"
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user