diff --git a/.github/CODE_OF_CONDUCT.md b/.github/CODE_OF_CONDUCT.md index 0e126edf..0144b65e 100644 --- a/.github/CODE_OF_CONDUCT.md +++ b/.github/CODE_OF_CONDUCT.md @@ -74,4 +74,4 @@ available at https://www.contributor-covenant.org/version/1/4/code-of-conduct.ht [homepage]: https://www.contributor-covenant.org For answers to common questions about this code of conduct, see -https://www.contributor-covenant.org/faq \ No newline at end of file +https://www.contributor-covenant.org/faq diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 0406aef2..4bbb2e92 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -2,7 +2,7 @@ # See https://pre-commit.com/hooks.html for more hooks repos: - repo: https://github.com/pre-commit/pre-commit-hooks - rev: v4.2.0 + rev: v4.3.0 hooks: - id: trailing-whitespace - id: end-of-file-fixer @@ -28,3 +28,10 @@ repos: rev: v2.34.0 hooks: - id: pyupgrade + - repo: https://github.com/pycqa/pydocstyle + rev: 6.1.1 + hooks: + - id: pydocstyle + files: ^src/ + additional_dependencies: + - toml diff --git a/README.md b/README.md index c8f31eb6..7928a61d 100644 --- a/README.md +++ b/README.md @@ -32,7 +32,7 @@ Guidelines](https://github.com/N3PDF/pineko/blob/main/.github/CONTRIBUTING.md). ## Documentation - The documentation is available here: Docs -- To build the documentation from source run +- To build the documentation from source run ```bash cd docs poetry run make html diff --git a/data/grids/load.sh b/data/grids/load.sh index 9abf6ec3..c64e32f1 100644 --- a/data/grids/load.sh +++ b/data/grids/load.sh @@ -6,3 +6,4 @@ # theory example # scp dom.mi.infn.it:/media/FK/fktables/data/grids/200-SLAC_NC_EM_D_F2.pineappl.lz4 ./200/SLAC_NC_EM_D_F2.pineappl.lz4 # scp dom.mi.infn.it:/media/FK/fktables/data/grids/200-SLAC_NC_EM_P_F2.pineappl.lz4 ./200/SLAC_NC_EM_P_F2.pineappl.lz4 +# scp dom.mi.infn.it:/media/FK/fktables_pineko/data/grids/208/HERA_CC_318GEV_EM_SIGMARED.pineappl.lz4 ./208/HERA_CC_318GEV_EM_SIGMARED.pineappl.lz4 diff --git a/poetry.lock b/poetry.lock index 478dd0c4..07c241fa 100644 --- a/poetry.lock +++ b/poetry.lock @@ -32,7 +32,7 @@ python-versions = "*" [[package]] name = "astroid" -version = "2.11.5" +version = "2.11.6" description = "An abstract syntax tree for Python with inference support." category = "dev" optional = false @@ -45,7 +45,7 @@ wrapt = ">=1.11,<2" [[package]] name = "atomicwrites" -version = "1.4.0" +version = "1.4.1" description = "Atomic file writes." category = "dev" optional = false @@ -67,7 +67,7 @@ tests_no_zope = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (> [[package]] name = "babel" -version = "2.10.1" +version = "2.10.3" description = "Internationalization utilities" category = "main" optional = false @@ -86,7 +86,7 @@ python-versions = "*" [[package]] name = "certifi" -version = "2022.5.18.1" +version = "2022.6.15" description = "Python package for providing Mozilla's CA Bundle." category = "main" optional = false @@ -94,11 +94,11 @@ python-versions = ">=3.6" [[package]] name = "charset-normalizer" -version = "2.0.12" +version = "2.1.0" description = "The Real First Universal Charset Detector. Open, modern and actively maintained alternative to Chardet." category = "main" optional = false -python-versions = ">=3.5.0" +python-versions = ">=3.6.0" [package.extras] unicode_backport = ["unicodedata2"] @@ -116,7 +116,7 @@ colorama = {version = "*", markers = "platform_system == \"Windows\""} [[package]] name = "colorama" -version = "0.4.4" +version = "0.4.5" description = "Cross-platform colored terminal text." category = "main" optional = false @@ -135,7 +135,7 @@ test = ["flake8 (==3.7.8)", "hypothesis (==3.55.3)"] [[package]] name = "coverage" -version = "6.4" +version = "6.4.1" description = "Code coverage measurement for Python" category = "dev" optional = false @@ -212,7 +212,7 @@ python-versions = ">=3.5" [[package]] name = "imagesize" -version = "1.3.0" +version = "1.4.1" description = "Getting image size from png/jpeg/jpeg2000/gif file" category = "main" optional = false @@ -220,7 +220,7 @@ python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*" [[package]] name = "importlib-metadata" -version = "4.11.4" +version = "4.12.0" description = "Read metadata from Python packages" category = "main" optional = false @@ -232,7 +232,7 @@ zipp = ">=0.5" [package.extras] docs = ["sphinx", "jaraco.packaging (>=9)", "rst.linker (>=1.9)"] perf = ["ipython"] -testing = ["pytest (>=6)", "pytest-checkdocs (>=2.4)", "pytest-flake8", "pytest-cov", "pytest-enabler (>=1.0.1)", "packaging", "pyfakefs", "flufl.flake8", "pytest-perf (>=0.9.2)", "pytest-black (>=0.3.7)", "pytest-mypy (>=0.9.1)", "importlib-resources (>=1.3)"] +testing = ["pytest (>=6)", "pytest-checkdocs (>=2.4)", "pytest-flake8", "pytest-cov", "pytest-enabler (>=1.3)", "packaging", "pyfakefs", "flufl.flake8", "pytest-perf (>=0.9.2)", "pytest-black (>=0.3.7)", "pytest-mypy (>=0.9.1)", "importlib-resources (>=1.3)"] [[package]] name = "iniconfig" @@ -244,7 +244,7 @@ python-versions = "*" [[package]] name = "ipython" -version = "7.33.0" +version = "7.34.0" description = "IPython: Productive Interactive 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"wcwidth-0.2.5-py2.py3-none-any.whl", hash = "sha256:beb4802a9cebb9144e99086eff703a642a13d6a0052920003a230f3294bbe784"}, {file = "wcwidth-0.2.5.tar.gz", hash = "sha256:c4d647b99872929fdb7bdcaa4fbe7f01413ed3d98077df798530e5b04f116c83"}, diff --git a/pyproject.toml b/pyproject.toml index 5a765d99..d1dfe439 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -25,7 +25,7 @@ packages = [{ include = "pineko", from = "src" }] [tool.poetry.dependencies] python = ">=3.8,<3.11" eko = "^0.8.5" -pineappl = "^0.5.2" +pineappl = "^0.5.4" PyYAML = "^6.0" numpy = "^1.21.0" pandas = "^1.4.1" @@ -110,3 +110,6 @@ max-line-length = 100 [tool.pylint.design] # Maximum number of arguments for function / method max-args = 10 + +[tool.pydocstyle] +convention = "numpy" diff --git a/src/pineko/__init__.py b/src/pineko/__init__.py index 0a9c5b6b..b0c0d8b0 100644 --- a/src/pineko/__init__.py +++ b/src/pineko/__init__.py @@ -1,4 +1,6 @@ # -*- coding: utf-8 -*- +"""pineko = PineAPPL + EKO.""" + from .cli import command from .comparator import compare diff --git a/src/pineko/check.py b/src/pineko/check.py index 49a8d9a2..5a93ae79 100644 --- a/src/pineko/check.py +++ b/src/pineko/check.py @@ -1,12 +1,28 @@ # -*- coding: utf-8 -*- +"""Tools to check compatibility of EKO and grid.""" import numpy as np def in1d(a, b, rtol=1e-05, atol=1e-08): - """ - Improved version of np.in1d. + """Improved version of np.in1d. Thanks: https://github.com/numpy/numpy/issues/7784#issuecomment-848036186 + + Parameters + ---------- + a : list + needle + b : list + haystack + rtol : float + allowed relative error + atol : float + allowed absolute error + + Returns + ------- + list + mask of found elements """ if len(a) == 1: for be in b: @@ -19,21 +35,29 @@ def in1d(a, b, rtol=1e-05, atol=1e-08): ) -def check_grid_and_eko_compatible(pineappl_grid, operators): - """ - Raises a `ValueError` if the EKO operators and the PineAPPL grid are NOT compatible. +def check_grid_and_eko_compatible(pineappl_grid, operators, xif): + """Check whether the EKO operators and the PineAPPL grid are compatible. Parameters ---------- - pineappl_grid : pineappl.grid.Grid - grid - operators : eko.output.Output - operators + pineappl_grid : pineappl.grid.Grid + grid + operators : eko.output.Output + operators + xif : float + factorization scale variation + + Raises + ------ + ValueError + If the operators and the grid are not compatible. """ - x_grid, _pids, muf2_grid = pineappl_grid.axes() + x_grid, _pids, _mur2_grid, muf2_grid = pineappl_grid.axes() # Q2 grid if not np.all( - in1d(np.unique(list(operators["Q2grid"].keys())), np.array(muf2_grid)) + in1d( + np.unique(list(operators["Q2grid"].keys())), xif * xif * np.array(muf2_grid) + ) ): raise ValueError( "Q2 grid in pineappl grid and eko operator are NOT compatible!" diff --git a/src/pineko/cli/__init__.py b/src/pineko/cli/__init__.py index 943ede4a..0965db72 100644 --- a/src/pineko/cli/__init__.py +++ b/src/pineko/cli/__init__.py @@ -1,3 +1,4 @@ # -*- coding: utf-8 -*- +"""CLI entry point.""" from . import check, compare, convolute, opcard, theory_ from ._base import command diff --git a/src/pineko/cli/_base.py b/src/pineko/cli/_base.py index 13c66d64..91654201 100644 --- a/src/pineko/cli/_base.py +++ b/src/pineko/cli/_base.py @@ -11,4 +11,4 @@ @click.group(context_settings=CONTEXT_SETTINGS) def command(): - """pineko: Combine PineAPPL grids and EKOs into FK tables""" + """pineko: Combine PineAPPL grids and EKOs into FK tables.""" diff --git a/src/pineko/cli/check.py b/src/pineko/cli/check.py index afe53e55..2b5e2c54 100644 --- a/src/pineko/cli/check.py +++ b/src/pineko/cli/check.py @@ -1,4 +1,5 @@ # -*- coding: utf-8 -*- +"""CLI entry point to check compatibility.""" import click import eko.output import pineappl @@ -11,16 +12,19 @@ @command.command("check") @click.argument("pineappl_path", metavar="PINEAPPL", type=click.Path(exists=True)) @click.argument("eko_path", metavar="EKO", type=click.Path(exists=True)) -def subcommand(pineappl_path, eko_path): +@click.option("--xif", default=1.0, help="factorization scale variation") +def subcommand(pineappl_path, eko_path, xif): """Check PineAPPL grid and EKO compatibility. In order to be compatible, the grid provided in PINEAPPL and the operator provided in EKO, have to expose the same x grid and Q2 grid. + + XIF is the factorization scale variation. """ pineappl_grid = pineappl.grid.Grid.read(pineappl_path) operators = eko.output.Output.load_tar(eko_path) try: - check.check_grid_and_eko_compatible(pineappl_grid, operators) + check.check_grid_and_eko_compatible(pineappl_grid, operators, xif) rich.print("[green]Success:[/] grids are compatible") except ValueError as e: rich.print("[red]Error:[/]", e) diff --git a/src/pineko/cli/compare.py b/src/pineko/cli/compare.py index 47fc56b2..3a380be0 100644 --- a/src/pineko/cli/compare.py +++ b/src/pineko/cli/compare.py @@ -1,4 +1,5 @@ # -*- coding: utf-8 -*- +"""CLI entry point to comparison grid vs. FK Table.""" import click import pineappl import rich @@ -13,8 +14,10 @@ @click.argument("max_as", type=int) @click.argument("max_al", type=int) @click.argument("pdf", type=str) -def subcommand(pineappl_path, fktable_path, max_as, max_al, pdf): - """Compare process level PineAPPL grid and derived FkTable. +@click.option("--xir", default=1.0, help="renormalization scale variation") +@click.option("--xif", default=1.0, help="factorization scale variation") +def subcommand(pineappl_path, fktable_path, max_as, max_al, pdf, xir, xif): + """Compare process level PineAPPL grid and derived FK Table. The comparison between the grid stored at PINEAPPL_PATH, and the FK table stored at FKTABLE_PATH, is performed by convoluting both the grids with the PDF @@ -23,8 +26,10 @@ def subcommand(pineappl_path, fktable_path, max_as, max_al, pdf): The comparison involves the orders in QCD and QED up to the maximum power of the coupling corresponding respectively to MAX_AS and MAX_AL. + + XIR and XIF represent the renormalization and factorization scale in the grid respectively. """ pine = pineappl.grid.Grid.read(pineappl_path) fk = pineappl.fk_table.FkTable.read(fktable_path) # Note that we need to cast to string before printing to avoid ellipsis ... - rich.print(comparator.compare(pine, fk, max_as, max_al, pdf).to_string()) + rich.print(comparator.compare(pine, fk, max_as, max_al, pdf, xir, xif).to_string()) diff --git a/src/pineko/cli/convolute.py b/src/pineko/cli/convolute.py index 0ffb4ce5..5687ca35 100644 --- a/src/pineko/cli/convolute.py +++ b/src/pineko/cli/convolute.py @@ -1,4 +1,5 @@ # -*- coding: utf-8 -*- +"""CLI entry point to convolution.""" import click from .. import evolve @@ -11,25 +12,42 @@ @click.argument("fktable", type=click.Path()) @click.argument("max_as", type=int) @click.argument("max_al", type=int) +@click.option("--xir", default=1.0, help="renormalization scale variation") +@click.option("--xif", default=1.0, help="factorization scale variation") @click.option( "--pdf", default=None, help="if given, print comparison table", show_default=True ) @click.option( - "--assumption", + "--assumptions", default="Nf6Ind", - help="the assumption to be used", + help="the flavor assumptions to be used", show_default=True, ) -def subcommand(pineappl, eko, fktable, max_as, max_al, pdf, assumption): - """Convolute PineAPPL grid and EKO. +def subcommand(pineappl, eko, fktable, max_as, max_al, xir, xif, pdf, assumptions): + """Convolute PineAPPL grid and EKO into an FK table. PINEAPPL and EKO are the path to the respective elements to convolute, and FKTABLE is the path where to dump the output. - Moreover, MAX_AS and MAX_AL are used to specify the order in QCD and QED + + MAX_AS and MAX_AL are used to specify the order in QCD and QED couplings (i.e. the maximum power allowed for each correction). + + XIR and XIF represent the renormalization and factorization scale in the grid respectively. + + ASSUMPTIONS represent the assumptions on the flavor dimension. + + PDF is an optional PDF set compatible with the EKO to compare grid and FK table. """ _grid, _fk, comp = evolve.evolve_grid( - pineappl, eko, fktable, max_as, max_al, pdf, assumption + pineappl, + eko, + fktable, + max_as, + max_al, + xir, + xif, + assumptions=assumptions, + comparison_pdf=pdf, ) if comp: print(comp.to_string()) diff --git a/src/pineko/cli/opcard.py b/src/pineko/cli/opcard.py index 7ffc4dba..d9bda04c 100644 --- a/src/pineko/cli/opcard.py +++ b/src/pineko/cli/opcard.py @@ -1,4 +1,5 @@ # -*- coding: utf-8 -*- +"""CLI entry point to the operator card generation.""" import click import rich @@ -12,14 +13,17 @@ "default_card_path", metavar="DEFAULT_CARD", type=click.Path(exists=True) ) @click.argument("opcard_path", metavar="OPCARD", type=click.Path()) -def subcommand(pineappl_path, default_card_path, opcard_path): +@click.option("--xif", default=1.0, help="factorization scale variation") +def subcommand(pineappl_path, default_card_path, opcard_path, xif): """Write EKO card for PineAPPL grid. Writes a copy of the default card from DEFAULT_CARD to OPCARD with the adjusted x grid and Q2 grid read from PINEAPPL. + + XIF is the factorization scale variation. """ _x_grid, q2_grid = evolve.write_operator_card_from_file( - pineappl_path, default_card_path, opcard_path + pineappl_path, default_card_path, opcard_path, xif ) rich.print( f"[green]Success:[/] Wrote card with {len(q2_grid)} Q2 points to {opcard_path}" diff --git a/src/pineko/cli/theory_.py b/src/pineko/cli/theory_.py index df067dd0..fc91094f 100644 --- a/src/pineko/cli/theory_.py +++ b/src/pineko/cli/theory_.py @@ -1,4 +1,5 @@ # -*- coding: utf-8 -*- +"""'theory' mode of CLI.""" import pathlib import click @@ -17,7 +18,7 @@ help="Explicitly specify config file (it has to be a valid TOML file).", ) def theory_(cfg): - """Iterate a subcommand on a given theory and list of datasets""" + """Iterate a subcommand on a given theory and list of datasets.""" path = configs.detect(cfg) base_configs = configs.load(path) configs.configs = configs.defaults(base_configs) @@ -32,7 +33,7 @@ def theory_(cfg): @click.option("--overwrite", is_flag=True, help="Allow files to be overwritten") def inherit_grids(source_theory_id, target_theory_id, datasets, overwrite): """Inherit grids for datasets from one theory to another.""" - theory.TheoryBuilder(source_theory_id, datasets, overwrite).inherit_grids( + theory.TheoryBuilder(source_theory_id, datasets, overwrite=overwrite).inherit_grids( target_theory_id ) @@ -43,7 +44,7 @@ def inherit_grids(source_theory_id, target_theory_id, datasets, overwrite): @click.option("--overwrite", is_flag=True, help="Allow files to be overwritten") def opcards(theory_id, datasets, overwrite): """Write EKO card for all FK tables in all datasets.""" - theory.TheoryBuilder(theory_id, datasets, overwrite).opcards() + theory.TheoryBuilder(theory_id, datasets, overwrite=overwrite).opcards() @theory_.command() diff --git a/src/pineko/comparator.py b/src/pineko/comparator.py index cf7357c9..607d221e 100644 --- a/src/pineko/comparator.py +++ b/src/pineko/comparator.py @@ -1,32 +1,35 @@ # -*- coding: utf-8 -*- -"""Provide tools to compare grids and FK tables""" +"""Tools to compare grids and FK tables.""" import numpy as np import pandas as pd import pineappl -def compare(pine, fktable, max_as, max_al, pdf): - """ - Build comparison table. +def compare(pine, fktable, max_as, max_al, pdf, xir, xif): + """Build comparison table. Parameters ---------- - pine : pineappl.grid.Grid - uncovoluted grid - fktable : pineappl.fktable.FkTable - convoluted grid - max_as : int - maximum power of strong coupling - max_al : int - maximum power of electro-weak coupling - pdf : str - PDF set name + pine : pineappl.grid.Grid + uncovoluted grid + fktable : pineappl.fktable.FkTable + convoluted grid + max_as : int + maximum power of strong coupling + max_al : int + maximum power of electro-weak coupling + pdf : str + PDF set name + xir : float + renormalization scale variation + xif : float + factorization scale variation Returns ------- - df : pd.DataFrame - comparison table + df : pd.DataFrame + comparison table """ import lhapdf # pylint: disable=import-outside-toplevel @@ -35,7 +38,11 @@ def compare(pine, fktable, max_as, max_al, pdf): order_mask = pineappl.grid.Order.create_mask(pine.orders(), max_as, max_al) before = np.array( pine.convolute_with_one( - pdgid, pdfset.xfxQ2, pdfset.alphasQ2, order_mask=order_mask + pdgid, + pdfset.xfxQ2, + pdfset.alphasQ2, + order_mask=order_mask, + xi=((xir, xif),), ) ) after = np.array(fktable.convolute_with_one(pdgid, pdfset.xfxQ2)) diff --git a/src/pineko/configs.py b/src/pineko/configs.py index e3b270c2..9d6c8067 100644 --- a/src/pineko/configs.py +++ b/src/pineko/configs.py @@ -1,4 +1,5 @@ # -*- coding: utf-8 -*- +"""Tools related to the configuration file handling.""" import copy import pathlib diff --git a/src/pineko/evolve.py b/src/pineko/evolve.py index fad16982..f006cb93 100644 --- a/src/pineko/evolve.py +++ b/src/pineko/evolve.py @@ -1,4 +1,5 @@ # -*- coding: utf-8 -*- +"""Tools related to evolution/eko.""" import copy import pathlib @@ -14,7 +15,7 @@ from . import check, comparator -def write_operator_card_from_file(pineappl_path, default_card_path, card_path): +def write_operator_card_from_file(pineappl_path, default_card_path, card_path, xif): """Generate operator card for a grid. Parameters @@ -25,6 +26,8 @@ def write_operator_card_from_file(pineappl_path, default_card_path, card_path): base operator card card_path : str or os.PathLike target path + xif : float + factorization scale variation Returns ------- @@ -39,10 +42,10 @@ def write_operator_card_from_file(pineappl_path, default_card_path, card_path): pineappl_grid = pineappl.grid.Grid.read(pineappl_path) with open(default_card_path, "r", encoding="UTF-8") as f: default_card = yaml.safe_load(f) - return write_operator_card(pineappl_grid, default_card, card_path) + return write_operator_card(pineappl_grid, default_card, card_path, xif) -def write_operator_card(pineappl_grid, default_card, card_path): +def write_operator_card(pineappl_grid, default_card, card_path, xif): """Generate operator card for this grid. Parameters @@ -53,6 +56,8 @@ def write_operator_card(pineappl_grid, default_card, card_path): base operator card card_path : str or os.PathLike target path + xif : float + factorization scale variation Returns ------- @@ -62,9 +67,10 @@ def write_operator_card(pineappl_grid, default_card, card_path): written Q2 grid """ operators_card = copy.deepcopy(default_card) - x_grid, _pids, q2_grid = pineappl_grid.axes() + x_grid, _pids, _mur2_grid, muf2_grid = pineappl_grid.axes() + q2_grid = (xif * xif * muf2_grid).tolist() operators_card["targetgrid"] = x_grid.tolist() - operators_card["Q2grid"] = q2_grid.tolist() + operators_card["Q2grid"] = q2_grid with open(card_path, "w", encoding="UTF-8") as f: yaml.safe_dump(operators_card, f) return x_grid, q2_grid @@ -76,37 +82,49 @@ def evolve_grid( fktable_path, max_as, max_al, + xir, + xif, + alphas_values=None, assumptions="Nf6Ind", comparison_pdf=None, ): - """ - Convolute grid with EKO from file paths. + """Convolute grid with EKO from file paths. Parameters ---------- - pineappl_path : str - unconvoluted grid - eko_path : str - evolution operator - fktable_path : str - target path for convoluted grid - max_as : int - maximum power of strong coupling - max_al : int - maximum power of electro-weak coupling - comparison_pdf : None or str - if given, a comparison table (with / without evolution) will be printed + pineappl_path : str + unconvoluted grid + eko_path : str + evolution operator + fktable_path : str + target path for convoluted grid + max_as : int + maximum power of strong coupling + max_al : int + maximum power of electro-weak coupling + xir : float + renormalization scale variation + xif : float + factorization scale variation + alphas_values : None or list + values of strong coupling used to collapse grids + assumptions : str + assumptions on the flavor dimension + comparison_pdf : None or str + if given, a comparison table (with / without evolution) will be printed """ rich.print( rich.panel.Panel.fit("Computing ...", style="magenta", box=rich.box.SQUARE), f" {pineappl_path}\n", f"+ {eko_path}\n", - f"= {fktable_path}", + f"= {fktable_path}\n", + f"with max_as={max_as}, max_al={max_al}, xir={xir}, xif={xif}", ) # load pineappl_grid = pineappl.grid.Grid.read(str(pineappl_path)) + _x_grid, _pids, mur2_grid, _muf2_grid = pineappl_grid.axes() operators = eko.output.Output.load_tar(eko_path) - check.check_grid_and_eko_compatible(pineappl_grid, operators) + check.check_grid_and_eko_compatible(pineappl_grid, operators, xif) # rotate to evolution (if doable and necessary) if np.allclose(operators["inputpids"], br.flavor_basis_pids): operators.to_evol() @@ -114,16 +132,30 @@ def evolve_grid( raise ValueError("The EKO is neither in flavor nor in evolution basis.") # do it order_mask = pineappl.grid.Order.create_mask(pineappl_grid.orders(), max_as, max_al) - fktable = pineappl_grid.convolute_eko(operators, "evol", order_mask=order_mask) + # TODO this is a hack to not break the CLI + # the problem is that the EKO output still does not contain the theory/operators card and + # so I can't compute alpha_s *here* if xir != 1 + if np.isclose(xir, 1.0) and alphas_values is None: + mur2_grid = list(operators["Q2grid"].keys()) + alphas_values = [op["alphas"] for op in operators["Q2grid"].values()] + fktable = pineappl_grid.convolute_eko( + operators, + xir * xir * mur2_grid, + alphas_values, + "evol", + order_mask=order_mask, + xi=(xir, xif), + ) + rich.print(f"Optimizing for {assumptions}") fktable.optimize(assumptions) - # compare before after + # write + fktable.write_lz4(str(fktable_path)) + # compare before/after comparison = None if comparison_pdf is not None: comparison = comparator.compare( - pineappl_grid, fktable, max_as, max_al, comparison_pdf + pineappl_grid, fktable, max_as, max_al, comparison_pdf, xir, xif ) fktable.set_key_value("results_fk", comparison.to_string()) fktable.set_key_value("results_fk_pdfset", comparison_pdf) - # write - fktable.write_lz4(str(fktable_path)) return pineappl_grid, fktable, comparison diff --git a/src/pineko/parser.py b/src/pineko/parser.py index 7f7c0d84..52b6ac50 100644 --- a/src/pineko/parser.py +++ b/src/pineko/parser.py @@ -1,4 +1,5 @@ # -*- coding: utf-8 -*- +"""Interface to ymldb.""" # ATTENTION: this is a partial copy from # https://github.com/NNPDF/nnpdf/blob/7cb96fc05ca2a2914bc1ccc864865e0ca4e66983/validphys2/src/validphys/pineparser.py diff --git a/src/pineko/theory.py b/src/pineko/theory.py index 6c04ebf1..6cf624d9 100644 --- a/src/pineko/theory.py +++ b/src/pineko/theory.py @@ -1,10 +1,19 @@ # -*- coding: utf-8 -*- +"""Tools related to generation of a list of FK tables. + +The typical use case of pineko is the generation of a list of FK tables, +all with common theory parameters. The collective list of this FK tables +together with other theory ingredients (such as C-factors) are often +commonly referred to as 'theory'. +""" import logging import time import eko +import numpy as np import rich import yaml +from eko import strong_coupling as sc from . import configs, evolve, parser, theory_card @@ -176,7 +185,7 @@ def inherit_ekos(self, target_theory_id): self.iterate(self.inherit_eko, other=other) def iterate(self, f, **kwargs): - """Iterated grids in datasets. + """Iterate grids in datasets. Additional keyword arguments are simply passed down. @@ -192,7 +201,7 @@ def iterate(self, f, **kwargs): f(name, grid, **kwargs) rich.print() - def opcard(self, name, grid): + def opcard(self, name, grid, xif): """Write a single operator card. Parameters @@ -201,6 +210,8 @@ def opcard(self, name, grid): grid name, i.e. it's true stem grid : pathlib.Path path to grid + xif : float + factorization scale """ opcard_path = self.operator_cards_path / f"{name}.yaml" if opcard_path.exists(): @@ -208,7 +219,10 @@ def opcard(self, name, grid): rich.print(f"Skipping existing operator card {opcard_path}") return _x_grid, q2_grid = evolve.write_operator_card_from_file( - grid, configs.configs["paths"]["operator_card_template"], opcard_path + grid, + configs.configs["paths"]["operator_card_template"], + opcard_path, + xif, ) if opcard_path.exists(): rich.print( @@ -217,14 +231,33 @@ def opcard(self, name, grid): def opcards(self): """Write operator cards.""" + tcard = theory_card.load(self.theory_id) self.operator_cards_path.mkdir(exist_ok=True) - self.iterate(self.opcard) + self.iterate(self.opcard, xif=tcard["XIF"]) + + def load_operator_card(self, name): + """Read current operator card. + + Parameters + ---------- + name : str + grid name, i.e. it's true stem + + Returns + ------- + ocard : dict + operator card + """ + opcard_path = self.operator_cards_path / f"{name}.yaml" + with open(opcard_path, encoding="utf-8") as f: + ocard = yaml.safe_load(f) + return ocard def activate_logging(self, path, filename, activated_loggers=()): """Activate the logging facilities. - Parameters: - ----------- + Parameters + ---------- path : pathlib.Path source directory filename : str @@ -269,9 +302,7 @@ def eko(self, name, _grid, tcard): paths["logs"]["eko"], f"{self.theory_id}-{name}.log", ("eko",) ) # setup data - opcard_path = self.operator_cards_path / f"{name}.yaml" - with open(opcard_path, encoding="utf-8") as f: - ocard = yaml.safe_load(f) + ocard = self.load_operator_card(name) eko_filename = self.ekos_path() / f"{name}.tar" if eko_filename.exists(): if not self.overwrite: @@ -324,13 +355,36 @@ def fk(self, name, grid_path, tcard, pdf): return max_as = 1 + int(tcard["PTO"]) max_al = 0 + # collect alpha_s + # TODO: move this down to evolve.evolve_grid when output contains cards + astrong = sc.StrongCoupling.from_dict(tcard) + # ocard = self.load_operator_card(name) + # q2_grid = ocard["Q2grid"] + operators = eko.output.Output.load_tar(eko_filename) + q2_grid = operators["Q2grid"].keys() + xir = tcard["XIR"] + xif = tcard["XIF"] + # PineAPPL wants alpha_s = 4*pi*a_s + alphas_values = [ + 4.0 * np.pi * astrong.a_s(xir * xir * Q2 / xif / xif) for Q2 in q2_grid + ] # Obtain the assumptions hash - assumptions = theory_card.construct_assumption(tcard) + assumptions = theory_card.construct_assumptions(tcard) # do it! logger.info("Start computation of %s", name) + logger.info("max_as=%d, max_al=%d, xir=%f, xif=%f", max_as, max_al, xir, xif) start_time = time.perf_counter() _grid, _fk, comparison = evolve.evolve_grid( - grid_path, eko_filename, fk_filename, max_as, max_al, pdf, assumptions + grid_path, + eko_filename, + fk_filename, + max_as, + max_al, + xir=xir, + xif=xif, + alphas_values=alphas_values, + assumptions=assumptions, + comparison_pdf=pdf, ) logger.info( "Finished computation of %s - took %f s", diff --git a/src/pineko/theory_card.py b/src/pineko/theory_card.py index 8eee439b..af550bd1 100644 --- a/src/pineko/theory_card.py +++ b/src/pineko/theory_card.py @@ -1,12 +1,12 @@ # -*- coding: utf-8 -*- +"""Tools related to theory cards.""" import yaml from . import configs def load(theory_id): - """ - Load a theory card. + """Load a theory card. Parameters ---------- @@ -24,8 +24,10 @@ def load(theory_id): return theory_card -def construct_assumption(tcard): - """This function return the appropriate assumption hash according to the scale Q0 of the fktable, +def construct_assumptions(tcard): + """Compute the assumptions hash from the theory settings. + + The used informations are the scale :math:`Q_0` of the FK table, the matching scales of the heavy quarks and whether an intrinsic component of the charm is allowed. @@ -37,9 +39,9 @@ def construct_assumption(tcard): Returns ------- str - assumption hash + assumptions hash """ - # retrive the relevant info from theory card + # retrieve the relevant info from theory card Q0 = tcard["Q0"] match_scales = { "c": tcard["kcThr"] * tcard["mc"], @@ -47,7 +49,7 @@ def construct_assumption(tcard): "t": tcard["ktThr"] * tcard["mt"], } ic = tcard["IC"] - hash = "Nf" + hash_ = "Nf" act_flav = 6 mod = "Ind" if Q0 < match_scales["t"]: @@ -59,5 +61,5 @@ def construct_assumption(tcard): if ic: act_flav += 1 mod = "Sym" - hash += str(act_flav) + mod - return hash + hash_ += str(act_flav) + mod + return hash_