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0992f0e746 chore(deps): update dependency mypy to ^0.940
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2022-03-12 01:30:52 +00:00
11 changed files with 418 additions and 1113 deletions

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@@ -2,97 +2,6 @@
All notable changes to this project will be documented in this file. See [standard-version](https://github.com/conventional-changelog/standard-version) for commit guidelines. All notable changes to this project will be documented in this file. See [standard-version](https://github.com/conventional-changelog/standard-version) for commit guidelines.
### [0.6.3](https://gitea.deepak.science:2222/physics/deepdog/compare/0.6.2...0.6.3) (2022-06-12)
### Features
* adds fast filter variant ([2c5c122](https://gitea.deepak.science:2222/physics/deepdog/commit/2c5c1228209e51d17253f07470e2f1e6dc6872d7))
* adds tester for fast filter real spectrum ([0a1a277](https://gitea.deepak.science:2222/physics/deepdog/commit/0a1a27759b0d4ab01da214b76ab14bf2b1fe00e3))
### [0.6.2](https://gitea.deepak.science:2222/physics/deepdog/compare/0.6.1...0.6.2) (2022-05-26)
### Features
* adds better import api for real data run ([d7e0f13](https://gitea.deepak.science:2222/physics/deepdog/commit/d7e0f13ca55197b24cb534c80f321ee76b9c4a40))
### [0.6.1](https://gitea.deepak.science:2222/physics/deepdog/compare/0.6.0...0.6.1) (2022-05-22)
### Features
* adds new runner for real spectra ([bd56f24](https://gitea.deepak.science:2222/physics/deepdog/commit/bd56f247748babb2ee1f2a1182d25aa968bff5a5))
## [0.6.0](https://gitea.deepak.science:2222/physics/deepdog/compare/0.5.0...0.6.0) (2022-05-22)
### ⚠ BREAKING CHANGES
* bayes run now handles multidipoles with changes to output file format etc.
* logs multiple dipoles better maybe
* switches over to pdme new stuff, uses models and scraps discretisations entirely
* removes alt_bayes bayes distinction, which was superfluous when only alt worked
### Features
* adds pdme 0.7.0 for multiprocessing ([874d876](https://gitea.deepak.science:2222/physics/deepdog/commit/874d876c9d774433b034d47c4cc0cdac41e6f2c7))
* bayes run now handles multidipoles with changes to output file format etc. ([5d0a7a4](https://gitea.deepak.science:2222/physics/deepdog/commit/5d0a7a4be09c58f8f8f859384f01d7912a98b8b9))
* logs multiple dipoles better maybe ([ae8977b](https://gitea.deepak.science:2222/physics/deepdog/commit/ae8977bb1e4d6cd71e88ea0876da8f4318e030b6))
* removes alt_bayes bayes distinction, which was superfluous when only alt worked ([101569d](https://gitea.deepak.science:2222/physics/deepdog/commit/101569d749e4f3f1842886aa2fd3321b8132278b))
* switches over to pdme new stuff, uses models and scraps discretisations entirely ([6e29f7a](https://gitea.deepak.science:2222/physics/deepdog/commit/6e29f7a702b578c266a42bba23ac973d155ada10))
* Uses multidipole for bayes run, with more verbose output ([df89776](https://gitea.deepak.science:2222/physics/deepdog/commit/df8977655de977fd3c4f7383dd9571e551eb1382))
### Bug Fixes
* another bug fix for csv generation ([b7da3d6](https://gitea.deepak.science:2222/physics/deepdog/commit/b7da3d61cc5c128cba1d2fcb3770b71b7f6fc4b8))
* fixes crash when dipole count is smaller than expected max during file write ([b5e0ecb](https://gitea.deepak.science:2222/physics/deepdog/commit/b5e0ecb52886b32d9055302eacfabb69338026b4))
* fixes format string in csv output for headers ([9afa209](https://gitea.deepak.science:2222/physics/deepdog/commit/9afa209864cdb9255988778e987fe05952848fd4))
* fixes random issue ([eec926a](https://gitea.deepak.science:2222/physics/deepdog/commit/eec926aaac654f78942b4c6b612e4d1cdcbf81dc))
* moves logging successes to after they've actually happened ([0caad05](https://gitea.deepak.science:2222/physics/deepdog/commit/0caad05e3cc6a9adba8bf937c3d2f944e1b096a3))
* now doesn't double randomise frequency ([23b202b](https://gitea.deepak.science:2222/physics/deepdog/commit/23b202beb81cb89f7f20b691e83116fa53764902))
* whoops deleted word multiprocessing ([31070b5](https://gitea.deepak.science:2222/physics/deepdog/commit/31070b5342c265d930b4c51402f42a3ee2415066))
## [0.5.0](https://gitea.deepak.science:2222/physics/deepdog/compare/0.4.0...0.5.0) (2022-04-30)
### ⚠ BREAKING CHANGES
* simulpairs now uses different rng calculator
### Features
* adds simulpairs run ([e9277c3](https://gitea.deepak.science:2222/physics/deepdog/commit/e9277c3da777359feb352c0b19f3bb029248ba2f))
* has better parallelisation ([edf0ba6](https://gitea.deepak.science:2222/physics/deepdog/commit/edf0ba6532c0588fce32341709cdb70e384b83f4))
* simulpairs now uses different rng calculator ([50dbc48](https://gitea.deepak.science:2222/physics/deepdog/commit/50dbc4835e60bace9e9b4ba37415f073a3c9e479))
### Bug Fixes
* better parallelisation hopefully ([42829c0](https://gitea.deepak.science:2222/physics/deepdog/commit/42829c0327e080e18be2fb75e746f6ac0d7c2f6d))
* Makes altbayessimulpairs available in package ([492a5e6](https://gitea.deepak.science:2222/physics/deepdog/commit/492a5e6681c85f95840e28cfd5d4ce4ca1d54eba))
* stronger names ([0954429](https://gitea.deepak.science:2222/physics/deepdog/commit/0954429e2d015a105ff16dfbb9e7a352bf53e5e9))
* Uses correct filename arg for passed in rng ([349341b](https://gitea.deepak.science:2222/physics/deepdog/commit/349341b405375a43b933f1fd7db4ee9fc501def3))
* uses correct filename for pairs guy ([4c06b39](https://gitea.deepak.science:2222/physics/deepdog/commit/4c06b3912c811c93c310b1d9e4c153f2014c4f8b))
## [0.4.0](https://gitea.deepak.science:2222/physics/deepdog/compare/0.3.5...0.4.0) (2022-04-10)
### ⚠ BREAKING CHANGES
* Adds pair calculations, with changing api format
### Features
* Adds dynamic cycle count increases to help reach minimum success count ([ec7b4ca](https://gitea.deepak.science:2222/physics/deepdog/commit/ec7b4cac393c15e94c513215c4f1ba32be2ae87a))
* Adds pair calculations, with changing api format ([6463b13](https://gitea.deepak.science:2222/physics/deepdog/commit/6463b135ef2d212b565864b5ac1b655e014d2194))
### Bug Fixes
* uses bigfix from pdme for negatives ([c1c711f](https://gitea.deepak.science:2222/physics/deepdog/commit/c1c711f47b574d3a9b8a24dbcbdd7f50b9be8ea9))
### [0.3.5](https://gitea.deepak.science:2222/physics/deepdog/compare/0.3.4...0.3.5) (2022-03-07) ### [0.3.5](https://gitea.deepak.science:2222/physics/deepdog/compare/0.3.4...0.3.5) (2022-03-07)

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@@ -1,20 +1,15 @@
import logging import logging
from deepdog.meta import __version__ from deepdog.meta import __version__
from deepdog.bayes_run import BayesRun from deepdog.bayes_run import BayesRun
from deepdog.bayes_run_simulpairs import BayesRunSimulPairs from deepdog.alt_bayes_run import AltBayesRun
from deepdog.real_spectrum_run import RealSpectrumRun from deepdog.diagnostic import Diagnostic
def get_version(): def get_version():
return __version__ return __version__
__all__ = [ __all__ = ["get_version", "BayesRun", "AltBayesRun", "Diagnostic"]
"get_version",
"BayesRun",
"BayesRunSimulPairs",
"RealSpectrumRun",
]
logging.getLogger(__name__).addHandler(logging.NullHandler()) logging.getLogger(__name__).addHandler(logging.NullHandler())

134
deepdog/alt_bayes_run.py Normal file
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@@ -0,0 +1,134 @@
import pdme.model
import pdme.measurement.oscillating_dipole
import pdme.util.fast_v_calc
from typing import Sequence, Tuple, List
import datetime
import csv
import multiprocessing
import logging
import numpy
# TODO: remove hardcode
CHUNKSIZE = 50
# TODO: It's garbage to have this here duplicated from pdme.
DotInput = Tuple[numpy.typing.ArrayLike, float]
_logger = logging.getLogger(__name__)
def get_a_result(input) -> int:
discretisation, dot_inputs, lows, highs, monte_carlo_count, max_frequency = input
sample_dipoles = discretisation.get_model().get_n_single_dipoles(monte_carlo_count, max_frequency)
vals = pdme.util.fast_v_calc.fast_vs_for_dipoles(dot_inputs, sample_dipoles)
return numpy.count_nonzero(pdme.util.fast_v_calc.between(vals, lows, highs))
class AltBayesRun():
'''
A single Bayes run for a given set of dots.
Parameters
----------
dot_inputs : Sequence[DotInput]
The dot inputs for this bayes run.
discretisations_with_names : Sequence[Tuple(str, pdme.model.Model)]
The models to evaluate.
actual_model_discretisation : pdme.model.Discretisation
The discretisation for the model which is actually correct.
filename_slug : str
The filename slug to include.
run_count: int
The number of runs to do.
'''
def __init__(self, dot_inputs: Sequence[DotInput], discretisations_with_names: Sequence[Tuple[str, pdme.model.Discretisation]], actual_model: pdme.model.Model, filename_slug: str, run_count: int, low_error: float = 0.9, high_error: float = 1.1, monte_carlo_count: int = 10000, monte_carlo_cycles: int = 10, max_frequency: float = 20, end_threshold: float = None, chunksize: int = CHUNKSIZE) -> None:
self.dot_inputs = dot_inputs
self.dot_inputs_array = pdme.measurement.oscillating_dipole.dot_inputs_to_array(dot_inputs)
self.discretisations = [disc for (_, disc) in discretisations_with_names]
self.model_names = [name for (name, _) in discretisations_with_names]
self.actual_model = actual_model
self.model_count = len(self.discretisations)
self.monte_carlo_count = monte_carlo_count
self.monte_carlo_cycles = monte_carlo_cycles
self.run_count = run_count
self.low_error = low_error
self.high_error = high_error
self.csv_fields = ["dipole_moment", "dipole_location", "dipole_frequency"]
self.compensate_zeros = True
self.chunksize = chunksize
for name in self.model_names:
self.csv_fields.extend([f"{name}_success", f"{name}_count", f"{name}_prob"])
self.probabilities = [1 / self.model_count] * self.model_count
timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S")
self.filename = f"{timestamp}-{filename_slug}.altbayes.csv"
self.max_frequency = max_frequency
if end_threshold is not None:
if 0 < end_threshold < 1:
self.end_threshold: float = end_threshold
self.use_end_threshold = True
_logger.info(f"Will abort early, at {self.end_threshold}.")
else:
raise ValueError(f"end_threshold should be between 0 and 1, but is actually {end_threshold}")
def go(self) -> None:
with open(self.filename, "a", newline="") as outfile:
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
writer.writeheader()
for run in range(1, self.run_count + 1):
rng = numpy.random.default_rng()
frequency = rng.uniform(1, self.max_frequency)
# Generate the actual dipoles
actual_dipoles = self.actual_model.get_dipoles(frequency)
dots = actual_dipoles.get_percent_range_dot_measurements(self.dot_inputs, self.low_error, self.high_error)
lows, highs = pdme.measurement.oscillating_dipole.dot_range_measurements_low_high_arrays(dots)
_logger.info(f"Going to work on dipole at {actual_dipoles.dipoles}")
results = []
_logger.debug("Going to iterate over discretisations now")
for disc_count, discretisation in enumerate(self.discretisations):
_logger.debug(f"Doing discretisation #{disc_count}")
with multiprocessing.Pool(multiprocessing.cpu_count() - 1 or 1) as pool:
results.append(sum(
pool.imap_unordered(get_a_result, [(discretisation, self.dot_inputs_array, lows, highs, self.monte_carlo_count, self.max_frequency)] * self.monte_carlo_cycles, self.chunksize)
))
_logger.debug("Done, constructing output now")
row = {
"dipole_moment": actual_dipoles.dipoles[0].p,
"dipole_location": actual_dipoles.dipoles[0].s,
"dipole_frequency": actual_dipoles.dipoles[0].w
}
successes: List[float] = []
counts: List[int] = []
for model_index, (name, result) in enumerate(zip(self.model_names, results)):
row[f"{name}_success"] = result
row[f"{name}_count"] = self.monte_carlo_count * self.monte_carlo_cycles
successes.append(max(result, 0.5))
counts.append(self.monte_carlo_count * self.monte_carlo_cycles)
success_weight = sum([(succ / count) * prob for succ, count, prob in zip(successes, counts, self.probabilities)])
new_probabilities = [(succ / count) * old_prob / success_weight for succ, count, old_prob in zip(successes, counts, self.probabilities)]
self.probabilities = new_probabilities
for name, probability in zip(self.model_names, self.probabilities):
row[f"{name}_prob"] = probability
_logger.info(row)
with open(self.filename, "a", newline="") as outfile:
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
writer.writerow(row)
if self.use_end_threshold:
max_prob = max(self.probabilities)
if max_prob > self.end_threshold:
_logger.info(f"Aborting early, because {max_prob} is greater than {self.end_threshold}")
break

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@@ -1,19 +1,17 @@
import pdme.inputs
import pdme.model import pdme.model
import pdme.measurement.input_types
import pdme.measurement.oscillating_dipole
import pdme.util.fast_v_calc
import pdme.util.fast_nonlocal_spectrum
from typing import Sequence, Tuple, List from typing import Sequence, Tuple, List
import datetime import datetime
import itertools
import csv import csv
import multiprocessing
import logging import logging
import numpy import numpy
import scipy.optimize
import multiprocessing
# TODO: remove hardcode # TODO: remove hardcode
CHUNKSIZE = 50 COST_THRESHOLD = 1e-10
# TODO: It's garbage to have this here duplicated from pdme. # TODO: It's garbage to have this here duplicated from pdme.
DotInput = Tuple[numpy.typing.ArrayLike, float] DotInput = Tuple[numpy.typing.ArrayLike, float]
@@ -22,126 +20,43 @@ DotInput = Tuple[numpy.typing.ArrayLike, float]
_logger = logging.getLogger(__name__) _logger = logging.getLogger(__name__)
def get_a_result(input) -> int: def get_a_result(discretisation, dots, index) -> Tuple[Tuple[int, ...], scipy.optimize.OptimizeResult]:
model, dot_inputs, lows, highs, monte_carlo_count, max_frequency, seed = input return (index, discretisation.solve_for_index(dots, index))
rng = numpy.random.default_rng(seed)
sample_dipoles = model.get_monte_carlo_dipole_inputs(
monte_carlo_count, max_frequency, rng_to_use=rng
)
vals = pdme.util.fast_v_calc.fast_vs_for_dipoleses(dot_inputs, sample_dipoles)
return numpy.count_nonzero(pdme.util.fast_v_calc.between(vals, lows, highs))
def get_a_result_using_pairs(input) -> int: class BayesRun():
( '''
model,
dot_inputs,
pair_inputs,
local_lows,
local_highs,
nonlocal_lows,
nonlocal_highs,
monte_carlo_count,
max_frequency,
) = input
sample_dipoles = model.get_n_single_dipoles(monte_carlo_count, max_frequency)
local_vals = pdme.util.fast_v_calc.fast_vs_for_dipoles(dot_inputs, sample_dipoles)
local_matches = pdme.util.fast_v_calc.between(local_vals, local_lows, local_highs)
nonlocal_vals = pdme.util.fast_nonlocal_spectrum.fast_s_nonlocal(
pair_inputs, sample_dipoles
)
nonlocal_matches = pdme.util.fast_v_calc.between(
nonlocal_vals, nonlocal_lows, nonlocal_highs
)
combined_matches = numpy.logical_and(local_matches, nonlocal_matches)
return numpy.count_nonzero(combined_matches)
class BayesRun:
"""
A single Bayes run for a given set of dots. A single Bayes run for a given set of dots.
Parameters Parameters
---------- ----------
dot_inputs : Sequence[DotInput] dot_inputs : Sequence[DotInput]
The dot inputs for this bayes run. The dot inputs for this bayes run.
discretisations_with_names : Sequence[Tuple(str, pdme.model.Model)]
models_with_names : Sequence[Tuple(str, pdme.model.DipoleModel)]
The models to evaluate. The models to evaluate.
actual_model_discretisation : pdme.model.Discretisation
actual_model : pdme.model.DipoleModel The discretisation for the model which is actually correct.
The model which is actually correct.
filename_slug : str filename_slug : str
The filename slug to include. The filename slug to include.
run_count: int run_count: int
The number of runs to do. The number of runs to do.
""" '''
def __init__(self, dot_inputs: Sequence[DotInput], discretisations_with_names: Sequence[Tuple[str, pdme.model.Discretisation]], actual_model: pdme.model.Model, filename_slug: str, run_count: int, max_frequency: float = None, end_threshold: float = None) -> None:
def __init__( self.dot_inputs = dot_inputs
self, self.discretisations = [disc for (_, disc) in discretisations_with_names]
dot_positions: Sequence[numpy.typing.ArrayLike], self.model_names = [name for (name, _) in discretisations_with_names]
frequency_range: Sequence[float],
models_with_names: Sequence[Tuple[str, pdme.model.DipoleModel]],
actual_model: pdme.model.DipoleModel,
filename_slug: str,
run_count: int = 100,
low_error: float = 0.9,
high_error: float = 1.1,
monte_carlo_count: int = 10000,
monte_carlo_cycles: int = 10,
target_success: int = 100,
max_monte_carlo_cycles_steps: int = 10,
max_frequency: float = 20,
end_threshold: float = None,
chunksize: int = CHUNKSIZE,
) -> None:
self.dot_inputs = pdme.inputs.inputs_with_frequency_range(
dot_positions, frequency_range
)
self.dot_inputs_array = pdme.measurement.input_types.dot_inputs_to_array(
self.dot_inputs
)
self.models = [model for (_, model) in models_with_names]
self.model_names = [name for (name, _) in models_with_names]
self.actual_model = actual_model self.actual_model = actual_model
self.model_count = len(self.discretisations)
self.n: int
try:
self.n = self.actual_model.n # type: ignore
except AttributeError:
self.n = 1
self.model_count = len(self.models)
self.monte_carlo_count = monte_carlo_count
self.monte_carlo_cycles = monte_carlo_cycles
self.target_success = target_success
self.max_monte_carlo_cycles_steps = max_monte_carlo_cycles_steps
self.run_count = run_count self.run_count = run_count
self.low_error = low_error self.csv_fields = ["dipole_moment", "dipole_location", "dipole_frequency"]
self.high_error = high_error
self.csv_fields = []
for i in range(self.n):
self.csv_fields.extend(
[
f"dipole_moment_{i+1}",
f"dipole_location_{i+1}",
f"dipole_frequency_{i+1}",
]
)
self.compensate_zeros = True self.compensate_zeros = True
self.chunksize = chunksize
for name in self.model_names: for name in self.model_names:
self.csv_fields.extend([f"{name}_success", f"{name}_count", f"{name}_prob"]) self.csv_fields.extend([f"{name}_success", f"{name}_count", f"{name}_prob"])
self.probabilities = [1 / self.model_count] * self.model_count self.probabilities = [1 / self.model_count] * self.model_count
timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S") timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S")
self.filename = f"{timestamp}-{filename_slug}.bayesrun.csv" self.filename = f"{timestamp}-{filename_slug}.csv"
self.max_frequency = max_frequency self.max_frequency = max_frequency
if end_threshold is not None: if end_threshold is not None:
@@ -150,9 +65,7 @@ class BayesRun:
self.use_end_threshold = True self.use_end_threshold = True
_logger.info(f"Will abort early, at {self.end_threshold}.") _logger.info(f"Will abort early, at {self.end_threshold}.")
else: else:
raise ValueError( raise ValueError(f"end_threshold should be between 0 and 1, but is actually {end_threshold}")
f"end_threshold should be between 0 and 1, but is actually {end_threshold}"
)
def go(self) -> None: def go(self) -> None:
with open(self.filename, "a", newline="") as outfile: with open(self.filename, "a", newline="") as outfile:
@@ -160,122 +73,56 @@ class BayesRun:
writer.writeheader() writer.writeheader()
for run in range(1, self.run_count + 1): for run in range(1, self.run_count + 1):
frequency: float = run
if self.max_frequency is not None and self.max_frequency > 1:
rng = numpy.random.default_rng()
frequency = rng.uniform(1, self.max_frequency)
dipoles = self.actual_model.get_dipoles(frequency)
# Generate the actual dipoles dots = dipoles.get_dot_measurements(self.dot_inputs)
actual_dipoles = self.actual_model.get_dipoles(self.max_frequency) _logger.info(f"Going to work on dipole at {dipoles.dipoles}")
dots = actual_dipoles.get_percent_range_dot_measurements(
self.dot_inputs, self.low_error, self.high_error
)
(
lows,
highs,
) = pdme.measurement.input_types.dot_range_measurements_low_high_arrays(
dots
)
_logger.info(f"Going to work on dipole at {actual_dipoles.dipoles}")
# define a new seed sequence for each run
seed_sequence = numpy.random.SeedSequence(run)
results = [] results = []
_logger.debug("Going to iterate over models now") _logger.debug("Going to iterate over discretisations now")
for model_count, model in enumerate(self.models): for disc_count, discretisation in enumerate(self.discretisations):
_logger.debug(f"Doing model #{model_count}") _logger.debug(f"Doing discretisation #{disc_count}")
core_count = multiprocessing.cpu_count() - 1 or 1 with multiprocessing.Pool(multiprocessing.cpu_count() - 1 or 1) as pool:
with multiprocessing.Pool(core_count) as pool: results.append(pool.starmap(get_a_result, zip(itertools.repeat(discretisation), itertools.repeat(dots), discretisation.all_indices())))
cycle_count = 0
cycle_success = 0
cycles = 0
while (cycles < self.max_monte_carlo_cycles_steps) and (
cycle_success <= self.target_success
):
_logger.debug(f"Starting cycle {cycles}")
cycles += 1
current_success = 0
cycle_count += self.monte_carlo_count * self.monte_carlo_cycles
# generate a seed from the sequence for each core.
# note this needs to be inside the loop for monte carlo cycle steps!
# that way we get more stuff.
seeds = seed_sequence.spawn(self.monte_carlo_cycles)
current_success = sum(
pool.imap_unordered(
get_a_result,
[
(
model,
self.dot_inputs_array,
lows,
highs,
self.monte_carlo_count,
self.max_frequency,
seed,
)
for seed in seeds
],
self.chunksize,
)
)
cycle_success += current_success
_logger.debug(f"current running successes: {cycle_success}")
results.append((cycle_count, cycle_success))
_logger.debug("Done, constructing output now") _logger.debug("Done, constructing output now")
row = { row = {
"dipole_moment_1": actual_dipoles.dipoles[0].p, "dipole_moment": dipoles.dipoles[0].p,
"dipole_location_1": actual_dipoles.dipoles[0].s, "dipole_location": dipoles.dipoles[0].s,
"dipole_frequency_1": actual_dipoles.dipoles[0].w, "dipole_frequency": dipoles.dipoles[0].w
} }
for i in range(1, self.n):
try:
current_dipoles = actual_dipoles.dipoles[i]
row[f"dipole_moment_{i+1}"] = current_dipoles.p
row[f"dipole_location_{i+1}"] = current_dipoles.s
row[f"dipole_frequency_{i+1}"] = current_dipoles.w
except IndexError:
_logger.info(f"Not writing anymore, saw end after {i}")
break
successes: List[float] = [] successes: List[float] = []
counts: List[int] = [] counts: List[int] = []
for model_index, (name, (count, result)) in enumerate( for model_index, (name, result) in enumerate(zip(self.model_names, results)):
zip(self.model_names, results) count = 0
): success = 0
for idx, val in result:
count += 1
if val.success and val.cost <= COST_THRESHOLD:
success += 1
row[f"{name}_success"] = result row[f"{name}_success"] = success
row[f"{name}_count"] = count row[f"{name}_count"] = count
successes.append(max(result, 0.5)) successes.append(max(success, 0.5))
counts.append(count) counts.append(count)
success_weight = sum( success_weight = sum([(succ / count) * prob for succ, count, prob in zip(successes, counts, self.probabilities)])
[ new_probabilities = [(succ / count) * old_prob / success_weight for succ, count, old_prob in zip(successes, counts, self.probabilities)]
(succ / count) * prob
for succ, count, prob in zip(successes, counts, self.probabilities)
]
)
new_probabilities = [
(succ / count) * old_prob / success_weight
for succ, count, old_prob in zip(successes, counts, self.probabilities)
]
self.probabilities = new_probabilities self.probabilities = new_probabilities
for name, probability in zip(self.model_names, self.probabilities): for name, probability in zip(self.model_names, self.probabilities):
row[f"{name}_prob"] = probability row[f"{name}_prob"] = probability
_logger.info(row) _logger.info(row)
with open(self.filename, "a", newline="") as outfile: with open(self.filename, "a", newline="") as outfile:
writer = csv.DictWriter( writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
outfile, fieldnames=self.csv_fields, dialect="unix"
)
writer.writerow(row) writer.writerow(row)
if self.use_end_threshold: if self.use_end_threshold:
max_prob = max(self.probabilities) max_prob = max(self.probabilities)
if max_prob > self.end_threshold: if max_prob > self.end_threshold:
_logger.info( _logger.info(f"Aborting early, because {max_prob} is greater than {self.end_threshold}")
f"Aborting early, because {max_prob} is greater than {self.end_threshold}"
)
break break

View File

@@ -1,382 +0,0 @@
import pdme.inputs
import pdme.model
import pdme.measurement.input_types
import pdme.measurement.oscillating_dipole
import pdme.util.fast_v_calc
import pdme.util.fast_nonlocal_spectrum
from typing import Sequence, Tuple, List
import datetime
import csv
import multiprocessing
import logging
import numpy
import numpy.random
# TODO: remove hardcode
CHUNKSIZE = 50
# TODO: It's garbage to have this here duplicated from pdme.
DotInput = Tuple[numpy.typing.ArrayLike, float]
_logger = logging.getLogger(__name__)
def get_a_simul_result_using_pairs(input) -> numpy.ndarray:
(
model,
dot_inputs,
pair_inputs,
local_lows,
local_highs,
nonlocal_lows,
nonlocal_highs,
monte_carlo_count,
monte_carlo_cycles,
max_frequency,
seed,
) = input
rng = numpy.random.default_rng(seed)
local_total = 0
combined_total = 0
sample_dipoles = model.get_monte_carlo_dipole_inputs(
monte_carlo_count, max_frequency, rng_to_use=rng
)
local_vals = pdme.util.fast_v_calc.fast_vs_for_dipoleses(dot_inputs, sample_dipoles)
local_matches = pdme.util.fast_v_calc.between(local_vals, local_lows, local_highs)
nonlocal_vals = pdme.util.fast_nonlocal_spectrum.fast_s_nonlocal_dipoleses(
pair_inputs, sample_dipoles
)
nonlocal_matches = pdme.util.fast_v_calc.between(
nonlocal_vals, nonlocal_lows, nonlocal_highs
)
combined_matches = numpy.logical_and(local_matches, nonlocal_matches)
local_total += numpy.count_nonzero(local_matches)
combined_total += numpy.count_nonzero(combined_matches)
return numpy.array([local_total, combined_total])
class BayesRunSimulPairs:
"""
A dual pairs-nonpairs Bayes run for a given set of dots.
Parameters
----------
dot_inputs : Sequence[DotInput]
The dot inputs for this bayes run.
models_with_names : Sequence[Tuple(str, pdme.model.DipoleModel)]
The models to evaluate.
actual_model : pdme.model.DipoleModel
The modoel for the model which is actually correct.
filename_slug : str
The filename slug to include.
run_count: int
The number of runs to do.
"""
def __init__(
self,
dot_positions: Sequence[numpy.typing.ArrayLike],
frequency_range: Sequence[float],
models_with_names: Sequence[Tuple[str, pdme.model.DipoleModel]],
actual_model: pdme.model.DipoleModel,
filename_slug: str,
run_count: int = 100,
low_error: float = 0.9,
high_error: float = 1.1,
pairs_high_error=None,
pairs_low_error=None,
monte_carlo_count: int = 10000,
monte_carlo_cycles: int = 10,
target_success: int = 100,
max_monte_carlo_cycles_steps: int = 10,
max_frequency: float = 20,
end_threshold: float = None,
chunksize: int = CHUNKSIZE,
) -> None:
self.dot_inputs = pdme.inputs.inputs_with_frequency_range(
dot_positions, frequency_range
)
self.dot_inputs_array = pdme.measurement.input_types.dot_inputs_to_array(
self.dot_inputs
)
self.dot_pair_inputs = pdme.inputs.input_pairs_with_frequency_range(
dot_positions, frequency_range
)
self.dot_pair_inputs_array = (
pdme.measurement.input_types.dot_pair_inputs_to_array(self.dot_pair_inputs)
)
self.models = [mod for (_, mod) in models_with_names]
self.model_names = [name for (name, _) in models_with_names]
self.actual_model = actual_model
self.n: int
try:
self.n = self.actual_model.n # type: ignore
except AttributeError:
self.n = 1
self.model_count = len(self.models)
self.monte_carlo_count = monte_carlo_count
self.monte_carlo_cycles = monte_carlo_cycles
self.target_success = target_success
self.max_monte_carlo_cycles_steps = max_monte_carlo_cycles_steps
self.run_count = run_count
self.low_error = low_error
self.high_error = high_error
if pairs_low_error is None:
self.pairs_low_error = self.low_error
else:
self.pairs_low_error = pairs_low_error
if pairs_high_error is None:
self.pairs_high_error = self.high_error
else:
self.pairs_high_error = pairs_high_error
self.csv_fields = []
for i in range(self.n):
self.csv_fields.extend(
[
f"dipole_moment_{i+1}",
f"dipole_location_{i+1}",
f"dipole_frequency_{i+1}",
]
)
self.compensate_zeros = True
self.chunksize = chunksize
for name in self.model_names:
self.csv_fields.extend([f"{name}_success", f"{name}_count", f"{name}_prob"])
self.probabilities_no_pairs = [1 / self.model_count] * self.model_count
self.probabilities_pairs = [1 / self.model_count] * self.model_count
timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S")
self.filename_pairs = f"{timestamp}-{filename_slug}.simulpairs.yespairs.csv"
self.filename_no_pairs = f"{timestamp}-{filename_slug}.simulpairs.noopairs.csv"
self.max_frequency = max_frequency
if end_threshold is not None:
if 0 < end_threshold < 1:
self.end_threshold: float = end_threshold
self.use_end_threshold = True
_logger.info(f"Will abort early, at {self.end_threshold}.")
else:
raise ValueError(
f"end_threshold should be between 0 and 1, but is actually {end_threshold}"
)
def go(self) -> None:
with open(self.filename_pairs, "a", newline="") as outfile:
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
writer.writeheader()
with open(self.filename_no_pairs, "a", newline="") as outfile:
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
writer.writeheader()
for run in range(1, self.run_count + 1):
# Generate the actual dipoles
actual_dipoles = self.actual_model.get_dipoles(self.max_frequency)
dots = actual_dipoles.get_percent_range_dot_measurements(
self.dot_inputs, self.low_error, self.high_error
)
(
lows,
highs,
) = pdme.measurement.input_types.dot_range_measurements_low_high_arrays(
dots
)
pair_lows, pair_highs = (None, None)
pair_measurements = actual_dipoles.get_percent_range_dot_pair_measurements(
self.dot_pair_inputs, self.pairs_low_error, self.pairs_high_error
)
(
pair_lows,
pair_highs,
) = pdme.measurement.input_types.dot_range_measurements_low_high_arrays(
pair_measurements
)
_logger.info(f"Going to work on dipole at {actual_dipoles.dipoles}")
# define a new seed sequence for each run
seed_sequence = numpy.random.SeedSequence(run)
results_pairs = []
results_no_pairs = []
_logger.debug("Going to iterate over models now")
for model_count, model in enumerate(self.models):
_logger.debug(f"Doing model #{model_count}")
core_count = multiprocessing.cpu_count() - 1 or 1
with multiprocessing.Pool(core_count) as pool:
cycle_count = 0
cycle_success_pairs = 0
cycle_success_no_pairs = 0
cycles = 0
while (cycles < self.max_monte_carlo_cycles_steps) and (
min(cycle_success_pairs, cycle_success_no_pairs)
<= self.target_success
):
_logger.debug(f"Starting cycle {cycles}")
cycles += 1
current_success_pairs = 0
current_success_no_pairs = 0
cycle_count += self.monte_carlo_count * self.monte_carlo_cycles
# generate a seed from the sequence for each core.
# note this needs to be inside the loop for monte carlo cycle steps!
# that way we get more stuff.
seeds = seed_sequence.spawn(self.monte_carlo_cycles)
_logger.debug(f"Creating {self.monte_carlo_cycles} seeds")
current_success_both = numpy.array(
sum(
pool.imap_unordered(
get_a_simul_result_using_pairs,
[
(
model,
self.dot_inputs_array,
self.dot_pair_inputs_array,
lows,
highs,
pair_lows,
pair_highs,
self.monte_carlo_count,
self.monte_carlo_cycles,
self.max_frequency,
seed,
)
for seed in seeds
],
self.chunksize,
)
)
)
current_success_no_pairs = current_success_both[0]
current_success_pairs = current_success_both[1]
cycle_success_no_pairs += current_success_no_pairs
cycle_success_pairs += current_success_pairs
_logger.debug(
f"(pair, no_pair) successes are {(cycle_success_pairs, cycle_success_no_pairs)}"
)
results_pairs.append((cycle_count, cycle_success_pairs))
results_no_pairs.append((cycle_count, cycle_success_no_pairs))
_logger.debug("Done, constructing output now")
row_pairs = {
"dipole_moment_1": actual_dipoles.dipoles[0].p,
"dipole_location_1": actual_dipoles.dipoles[0].s,
"dipole_frequency_1": actual_dipoles.dipoles[0].w,
}
row_no_pairs = {
"dipole_moment_1": actual_dipoles.dipoles[0].p,
"dipole_location_1": actual_dipoles.dipoles[0].s,
"dipole_frequency_1": actual_dipoles.dipoles[0].w,
}
for i in range(1, self.n):
try:
current_dipoles = actual_dipoles.dipoles[i]
row_pairs[f"dipole_moment_{i+1}"] = current_dipoles.p
row_pairs[f"dipole_location_{i+1}"] = current_dipoles.s
row_pairs[f"dipole_frequency_{i+1}"] = current_dipoles.w
row_no_pairs[f"dipole_moment_{i+1}"] = current_dipoles.p
row_no_pairs[f"dipole_location_{i+1}"] = current_dipoles.s
row_no_pairs[f"dipole_frequency_{i+1}"] = current_dipoles.w
except IndexError:
_logger.info(f"Not writing anymore, saw end after {i}")
break
successes_pairs: List[float] = []
successes_no_pairs: List[float] = []
counts: List[int] = []
for model_index, (
name,
(count_pair, result_pair),
(count_no_pair, result_no_pair),
) in enumerate(zip(self.model_names, results_pairs, results_no_pairs)):
row_pairs[f"{name}_success"] = result_pair
row_pairs[f"{name}_count"] = count_pair
successes_pairs.append(max(result_pair, 0.5))
row_no_pairs[f"{name}_success"] = result_no_pair
row_no_pairs[f"{name}_count"] = count_no_pair
successes_no_pairs.append(max(result_no_pair, 0.5))
counts.append(count_pair)
success_weight_pair = sum(
[
(succ / count) * prob
for succ, count, prob in zip(
successes_pairs, counts, self.probabilities_pairs
)
]
)
success_weight_no_pair = sum(
[
(succ / count) * prob
for succ, count, prob in zip(
successes_no_pairs, counts, self.probabilities_no_pairs
)
]
)
new_probabilities_pair = [
(succ / count) * old_prob / success_weight_pair
for succ, count, old_prob in zip(
successes_pairs, counts, self.probabilities_pairs
)
]
new_probabilities_no_pair = [
(succ / count) * old_prob / success_weight_no_pair
for succ, count, old_prob in zip(
successes_no_pairs, counts, self.probabilities_no_pairs
)
]
self.probabilities_pairs = new_probabilities_pair
self.probabilities_no_pairs = new_probabilities_no_pair
for name, probability_pair, probability_no_pair in zip(
self.model_names, self.probabilities_pairs, self.probabilities_no_pairs
):
row_pairs[f"{name}_prob"] = probability_pair
row_no_pairs[f"{name}_prob"] = probability_no_pair
_logger.debug(row_pairs)
_logger.debug(row_no_pairs)
with open(self.filename_pairs, "a", newline="") as outfile:
writer = csv.DictWriter(
outfile, fieldnames=self.csv_fields, dialect="unix"
)
writer.writerow(row_pairs)
with open(self.filename_no_pairs, "a", newline="") as outfile:
writer = csv.DictWriter(
outfile, fieldnames=self.csv_fields, dialect="unix"
)
writer.writerow(row_no_pairs)
if self.use_end_threshold:
max_prob = min(
max(self.probabilities_pairs), max(self.probabilities_no_pairs)
)
if max_prob > self.end_threshold:
_logger.info(
f"Aborting early, because {max_prob} is greater than {self.end_threshold}"
)
break

99
deepdog/diagnostic.py Normal file
View File

@@ -0,0 +1,99 @@
from pdme.measurement import OscillatingDipole, OscillatingDipoleArrangement
import pdme
from deepdog.bayes_run import DotInput
import datetime
import numpy
from dataclasses import dataclass
import logging
from typing import Sequence, Tuple
import csv
import itertools
import multiprocessing
_logger = logging.getLogger(__name__)
def get_a_result(discretisation, dots, index):
return (index, discretisation.solve_for_index(dots, index))
@dataclass
class SingleDipoleDiagnostic():
model: str
index: Tuple
bounds: Tuple
actual_dipole: OscillatingDipole
result_dipole: OscillatingDipole
success: bool
def __post_init__(self) -> None:
self.p_actual_x = self.actual_dipole.p[0]
self.p_actual_y = self.actual_dipole.p[1]
self.p_actual_z = self.actual_dipole.p[2]
self.s_actual_x = self.actual_dipole.s[0]
self.s_actual_y = self.actual_dipole.s[1]
self.s_actual_z = self.actual_dipole.s[2]
self.p_result_x = self.result_dipole.p[0]
self.p_result_y = self.result_dipole.p[1]
self.p_result_z = self.result_dipole.p[2]
self.s_result_x = self.result_dipole.s[0]
self.s_result_y = self.result_dipole.s[1]
self.s_result_z = self.result_dipole.s[2]
self.w_actual = self.actual_dipole.w
self.w_result = self.result_dipole.w
class Diagnostic():
'''
Represents a diagnostic for a single dipole moment given a set of discretisations.
Parameters
----------
dot_inputs : Sequence[DotInput]
The dot inputs for this diagnostic.
discretisations_with_names : Sequence[Tuple(str, pdme.model.Model)]
The models to evaluate.
actual_model_discretisation : pdme.model.Discretisation
The discretisation for the model which is actually correct.
filename_slug : str
The filename slug to include.
run_count: int
The number of runs to do.
'''
def __init__(self, actual_dipole_moment: numpy.ndarray, actual_dipole_position: numpy.ndarray, actual_dipole_frequency: float, dot_inputs: Sequence[DotInput], discretisations_with_names: Sequence[Tuple[str, pdme.model.Discretisation]], filename_slug: str) -> None:
self.dipoles = OscillatingDipoleArrangement([OscillatingDipole(actual_dipole_moment, actual_dipole_position, actual_dipole_frequency)])
self.dots = self.dipoles.get_dot_measurements(dot_inputs)
self.discretisations_with_names = discretisations_with_names
self.model_count = len(self.discretisations_with_names)
self.csv_fields = ["model", "index", "bounds", "p_actual_x", "p_actual_y", "p_actual_z", "s_actual_x", "s_actual_y", "s_actual_z", "w_actual", "success", "p_result_x", "p_result_y", "p_result_z", "s_result_x", "s_result_y", "s_result_z", "w_result"]
timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S")
self.filename = f"{timestamp}-{filename_slug}.diag.csv"
def go(self):
with open(self.filename, "a", newline="") as outfile:
# csv fields
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect='unix')
writer.writeheader()
for (name, discretisation) in self.discretisations_with_names:
_logger.info(f"Working on discretisation {name}")
results = []
with multiprocessing.Pool(multiprocessing.cpu_count() - 1 or 1) as pool:
results = pool.starmap(get_a_result, zip(itertools.repeat(discretisation), itertools.repeat(self.dots), discretisation.all_indices()))
with open(self.filename, "a", newline='') as outfile:
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect='unix', extrasaction="ignore")
for idx, result in results:
bounds = discretisation.bounds(idx)
actual_success = result.success and result.cost <= 1e-10
diag_row = SingleDipoleDiagnostic(name, idx, bounds, self.dipoles.dipoles[0], discretisation.model.solution_as_dipoles(result.normalised_x)[0], actual_success)
row = vars(diag_row)
_logger.debug(f"Writing result {row}")
writer.writerow(row)

View File

@@ -1,3 +1,3 @@
from importlib.metadata import version from importlib.metadata import version
__version__ = version("deepdog") __version__ = version('deepdog')

View File

@@ -1,220 +0,0 @@
import pdme.inputs
import pdme.model
import pdme.measurement
import pdme.measurement.input_types
import pdme.measurement.oscillating_dipole
import pdme.util.fast_v_calc
import pdme.util.fast_nonlocal_spectrum
from typing import Sequence, Tuple, List, Dict, Union
import datetime
import csv
import multiprocessing
import logging
import numpy
# TODO: remove hardcode
CHUNKSIZE = 50
_logger = logging.getLogger(__name__)
def get_a_result(input) -> int:
model, dot_inputs, lows, highs, monte_carlo_count, seed = input
rng = numpy.random.default_rng(seed)
# TODO: A long term refactor is to pull the frequency stuff out from here. The None stands for max_frequency, which is unneeded in the actually useful models.
sample_dipoles = model.get_monte_carlo_dipole_inputs(
monte_carlo_count, None, rng_to_use=rng
)
vals = pdme.util.fast_v_calc.fast_vs_for_dipoleses(dot_inputs, sample_dipoles)
return numpy.count_nonzero(pdme.util.fast_v_calc.between(vals, lows, highs))
def get_a_result_fast_filter(input) -> int:
model, dot_inputs, lows, highs, monte_carlo_count, seed = input
rng = numpy.random.default_rng(seed)
# TODO: A long term refactor is to pull the frequency stuff out from here. The None stands for max_frequency, which is unneeded in the actually useful models.
sample_dipoles = model.get_monte_carlo_dipole_inputs(
monte_carlo_count, None, rng_to_use=rng
)
current_sample = sample_dipoles
for di, low, high in zip(dot_inputs, lows, highs):
if len(current_sample) < 1:
break
vals = pdme.util.fast_v_calc.fast_vs_for_dipoleses(
numpy.array([di]), current_sample
)
current_sample = current_sample[numpy.all((vals > low) & (vals < high), axis=1)]
return len(current_sample)
class RealSpectrumRun:
"""
A bayes run given some real data.
Parameters
----------
measurements : Sequence[pdme.measurement.DotRangeMeasurement]
The dot inputs for this bayes run.
models_with_names : Sequence[Tuple(str, pdme.model.DipoleModel)]
The models to evaluate.
actual_model : pdme.model.DipoleModel
The model which is actually correct.
filename_slug : str
The filename slug to include.
run_count: int
The number of runs to do.
"""
def __init__(
self,
measurements: Sequence[pdme.measurement.DotRangeMeasurement],
models_with_names: Sequence[Tuple[str, pdme.model.DipoleModel]],
filename_slug: str,
monte_carlo_count: int = 10000,
monte_carlo_cycles: int = 10,
target_success: int = 100,
max_monte_carlo_cycles_steps: int = 10,
chunksize: int = CHUNKSIZE,
initial_seed: int = 12345,
use_fast_filter: bool = True,
) -> None:
self.measurements = measurements
self.dot_inputs = [(measure.r, measure.f) for measure in self.measurements]
self.dot_inputs_array = pdme.measurement.input_types.dot_inputs_to_array(
self.dot_inputs
)
self.models = [model for (_, model) in models_with_names]
self.model_names = [name for (name, _) in models_with_names]
self.model_count = len(self.models)
self.monte_carlo_count = monte_carlo_count
self.monte_carlo_cycles = monte_carlo_cycles
self.target_success = target_success
self.max_monte_carlo_cycles_steps = max_monte_carlo_cycles_steps
self.csv_fields = []
self.compensate_zeros = True
self.chunksize = chunksize
for name in self.model_names:
self.csv_fields.extend([f"{name}_success", f"{name}_count", f"{name}_prob"])
# for now initialise priors as uniform.
self.probabilities = [1 / self.model_count] * self.model_count
timestamp = datetime.datetime.now().strftime("%Y%m%d-%H%M%S")
self.use_fast_filter = use_fast_filter
ff_string = "no_fast_filter"
if self.use_fast_filter:
ff_string = "fast_filter"
self.filename = f"{timestamp}-{filename_slug}.realdata.{ff_string}.bayesrun.csv"
self.initial_seed = initial_seed
def go(self) -> None:
with open(self.filename, "a", newline="") as outfile:
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
writer.writeheader()
(
lows,
highs,
) = pdme.measurement.input_types.dot_range_measurements_low_high_arrays(
self.measurements
)
# define a new seed sequence for each run
seed_sequence = numpy.random.SeedSequence(self.initial_seed)
results = []
_logger.debug("Going to iterate over models now")
for model_count, model in enumerate(self.models):
_logger.debug(f"Doing model #{model_count}")
core_count = multiprocessing.cpu_count() - 1 or 1
with multiprocessing.Pool(core_count) as pool:
cycle_count = 0
cycle_success = 0
cycles = 0
while (cycles < self.max_monte_carlo_cycles_steps) and (
cycle_success <= self.target_success
):
_logger.debug(f"Starting cycle {cycles}")
cycles += 1
current_success = 0
cycle_count += self.monte_carlo_count * self.monte_carlo_cycles
# generate a seed from the sequence for each core.
# note this needs to be inside the loop for monte carlo cycle steps!
# that way we get more stuff.
seeds = seed_sequence.spawn(self.monte_carlo_cycles)
if self.use_fast_filter:
result_func = get_a_result_fast_filter
else:
result_func = get_a_result
current_success = sum(
pool.imap_unordered(
result_func,
[
(
model,
self.dot_inputs_array,
lows,
highs,
self.monte_carlo_count,
seed,
)
for seed in seeds
],
self.chunksize,
)
)
cycle_success += current_success
_logger.debug(f"current running successes: {cycle_success}")
results.append((cycle_count, cycle_success))
_logger.debug("Done, constructing output now")
row: Dict[str, Union[int, float, str]] = {}
successes: List[float] = []
counts: List[int] = []
for model_index, (name, (count, result)) in enumerate(
zip(self.model_names, results)
):
row[f"{name}_success"] = result
row[f"{name}_count"] = count
successes.append(max(result, 0.5))
counts.append(count)
success_weight = sum(
[
(succ / count) * prob
for succ, count, prob in zip(successes, counts, self.probabilities)
]
)
new_probabilities = [
(succ / count) * old_prob / success_weight
for succ, count, old_prob in zip(successes, counts, self.probabilities)
]
self.probabilities = new_probabilities
for name, probability in zip(self.model_names, self.probabilities):
row[f"{name}_prob"] = probability
_logger.info(row)
with open(self.filename, "a", newline="") as outfile:
writer = csv.DictWriter(outfile, fieldnames=self.csv_fields, dialect="unix")
writer.writerow(row)

5
do.sh
View File

@@ -16,11 +16,6 @@ test() {
poetry run pytest poetry run pytest
} }
fmt() {
poetry run black .
find . -type f -name "*.py" -exec sed -i -e 's/ /\t/g' {} \;
}
release() { release() {
./scripts/release.sh ./scripts/release.sh
} }

321
poetry.lock generated
View File

@@ -20,28 +20,6 @@ docs = ["furo", "sphinx", "zope.interface", "sphinx-notfound-page"]
tests = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins", "zope.interface", "cloudpickle"] tests = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins", "zope.interface", "cloudpickle"]
tests_no_zope = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins", "cloudpickle"] tests_no_zope = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins", "cloudpickle"]
[[package]]
name = "black"
version = "22.3.0"
description = "The uncompromising code formatter."
category = "dev"
optional = false
python-versions = ">=3.6.2"
[package.dependencies]
click = ">=8.0.0"
mypy-extensions = ">=0.4.3"
pathspec = ">=0.9.0"
platformdirs = ">=2"
tomli = {version = ">=1.1.0", markers = "python_version < \"3.11\""}
typing-extensions = {version = ">=3.10.0.0", markers = "python_version < \"3.10\""}
[package.extras]
colorama = ["colorama (>=0.4.3)"]
d = ["aiohttp (>=3.7.4)"]
jupyter = ["ipython (>=7.8.0)", "tokenize-rt (>=3.2.0)"]
uvloop = ["uvloop (>=0.15.2)"]
[[package]] [[package]]
name = "bleach" name = "bleach"
version = "4.1.0" version = "4.1.0"
@@ -117,14 +95,14 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
[[package]] [[package]]
name = "coverage" name = "coverage"
version = "6.4.1" version = "6.3.2"
description = "Code coverage measurement for Python" description = "Code coverage measurement for Python"
category = "dev" category = "dev"
optional = false optional = false
python-versions = ">=3.7" python-versions = ">=3.7"
[package.dependencies] [package.dependencies]
tomli = {version = "*", optional = true, markers = "python_full_version <= \"3.11.0a6\" and extra == \"toml\""} tomli = {version = "*", optional = true, markers = "extra == \"toml\""}
[package.extras] [package.extras]
toml = ["tomli"] toml = ["tomli"]
@@ -282,7 +260,7 @@ python-versions = "*"
[[package]] [[package]]
name = "mypy" name = "mypy"
version = "0.961" version = "0.940"
description = "Optional static typing for Python" description = "Optional static typing for Python"
category = "dev" category = "dev"
optional = false optional = false
@@ -290,7 +268,7 @@ python-versions = ">=3.6"
[package.dependencies] [package.dependencies]
mypy-extensions = ">=0.4.3" mypy-extensions = ">=0.4.3"
tomli = {version = ">=1.1.0", markers = "python_version < \"3.11\""} tomli = ">=1.1.0"
typing-extensions = ">=3.10" typing-extensions = ">=3.10"
[package.extras] [package.extras]
@@ -308,7 +286,7 @@ python-versions = "*"
[[package]] [[package]]
name = "numpy" name = "numpy"
version = "1.22.3" version = "1.22.1"
description = "NumPy is the fundamental package for array computing with Python." description = "NumPy is the fundamental package for array computing with Python."
category = "main" category = "main"
optional = false optional = false
@@ -325,25 +303,17 @@ python-versions = ">=3.6"
[package.dependencies] [package.dependencies]
pyparsing = ">=2.0.2,<3.0.5 || >3.0.5" pyparsing = ">=2.0.2,<3.0.5 || >3.0.5"
[[package]]
name = "pathspec"
version = "0.9.0"
description = "Utility library for gitignore style pattern matching of file paths."
category = "dev"
optional = false
python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,>=2.7"
[[package]] [[package]]
name = "pdme" name = "pdme"
version = "0.8.5" version = "0.5.4"
description = "Python dipole model evaluator" description = "Python dipole model evaluator"
category = "main" category = "main"
optional = false optional = false
python-versions = ">=3.8,<3.10" python-versions = ">=3.8,<3.10"
[package.dependencies] [package.dependencies]
numpy = ">=1.22.3,<2.0.0" numpy = ">=1.21.1,<2.0.0"
scipy = ">=1.8,<1.9" scipy = ">=1.5,<1.6"
[[package]] [[package]]
name = "pkginfo" name = "pkginfo"
@@ -356,18 +326,6 @@ python-versions = "*"
[package.extras] [package.extras]
testing = ["coverage", "nose"] testing = ["coverage", "nose"]
[[package]]
name = "platformdirs"
version = "2.5.1"
description = "A small Python module for determining appropriate platform-specific dirs, e.g. a \"user data dir\"."
category = "dev"
optional = false
python-versions = ">=3.7"
[package.extras]
docs = ["Sphinx (>=4)", "furo (>=2021.7.5b38)", "proselint (>=0.10.2)", "sphinx-autodoc-typehints (>=1.12)"]
test = ["appdirs (==1.4.4)", "pytest (>=6)", "pytest-cov (>=2.7)", "pytest-mock (>=3.6)"]
[[package]] [[package]]
name = "pluggy" name = "pluggy"
version = "1.0.0" version = "1.0.0"
@@ -575,14 +533,14 @@ idna2008 = ["idna"]
[[package]] [[package]]
name = "scipy" name = "scipy"
version = "1.8.0" version = "1.5.4"
description = "SciPy: Scientific Library for Python" description = "SciPy: Scientific Library for Python"
category = "main" category = "main"
optional = false optional = false
python-versions = ">=3.8,<3.11" python-versions = ">=3.6"
[package.dependencies] [package.dependencies]
numpy = ">=1.17.3,<1.25.0" numpy = ">=1.14.5"
[[package]] [[package]]
name = "secretstorage" name = "secretstorage"
@@ -740,7 +698,7 @@ testing = ["pytest (>=6)", "pytest-checkdocs (>=2.4)", "pytest-flake8", "pytest-
[metadata] [metadata]
lock-version = "1.1" lock-version = "1.1"
python-versions = "^3.8,<3.10" python-versions = "^3.8,<3.10"
content-hash = "0196604b0dfc7b3dd0bdb19f983358ef9934d47f3c209dbbc7d07712ac5f779d" content-hash = "ac69ab9be2cde12f64be445f46af378b6943d3c19cbf9fd3e1b6b81371c7a5a6"
[metadata.files] [metadata.files]
atomicwrites = [ atomicwrites = [
@@ -751,31 +709,6 @@ attrs = [
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{file = "attrs-21.4.0.tar.gz", hash = "sha256:626ba8234211db98e869df76230a137c4c40a12d72445c45d5f5b716f076e2fd"}, {file = "attrs-21.4.0.tar.gz", hash = "sha256:626ba8234211db98e869df76230a137c4c40a12d72445c45d5f5b716f076e2fd"},
] ]
black = [
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bleach = [ bleach = [
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@@ -853,47 +786,47 @@ colorama = [
{file = "colorama-0.4.4.tar.gz", hash = "sha256:5941b2b48a20143d2267e95b1c2a7603ce057ee39fd88e7329b0c292aa16869b"}, {file = "colorama-0.4.4.tar.gz", hash = "sha256:5941b2b48a20143d2267e95b1c2a7603ce057ee39fd88e7329b0c292aa16869b"},
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View File

@@ -1,20 +1,19 @@
[tool.poetry] [tool.poetry]
name = "deepdog" name = "deepdog"
version = "0.6.3" version = "0.3.5"
description = "" description = ""
authors = ["Deepak Mallubhotla <dmallubhotla+github@gmail.com>"] authors = ["Deepak Mallubhotla <dmallubhotla+github@gmail.com>"]
[tool.poetry.dependencies] [tool.poetry.dependencies]
python = "^3.8,<3.10" python = "^3.8,<3.10"
pdme = "^0.8.5" pdme = "^0.5.4"
[tool.poetry.dev-dependencies] [tool.poetry.dev-dependencies]
pytest = ">=6" pytest = ">=6"
flake8 = "^4.0.1" flake8 = "^4.0.1"
pytest-cov = "^3.0.0" pytest-cov = "^3.0.0"
mypy = "^0.961" mypy = "^0.940"
python-semantic-release = "^7.24.0" python-semantic-release = "^7.24.0"
black = "^22.3.0"
[build-system] [build-system]
requires = ["poetry-core>=1.0.0"] requires = ["poetry-core>=1.0.0"]