Scale Variations

.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
+https://www.contributor-covenant.org/faq

.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

README.md

@@ -32,7 +32,7 @@ Guidelines](https://github.com/N3PDF/pineko/blob/main/.github/CONTRIBUTING.md).
 
 ## Documentation
 - The documentation is available here: <a href="https://pineko.readthedocs.io/en/latest/"><img alt="Docs" src="https://readthedocs.org/projects/pineko/badge/?version=latest"></a>
-- To build the documentation from source run 
+- To build the documentation from source run
 ```bash
 cd docs
 poetry run make html

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

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"

src/pineko/__init__.py

@@ -1,4 +1,6 @@
 # -*- coding: utf-8 -*-
+"""pineko = PineAPPL + EKO."""
+
 from .cli import command
 from .comparator import compare
 

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!"

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

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."""

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)

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())

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())

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}"

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()

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))

src/pineko/configs.py

@@ -1,4 +1,5 @@
 # -*- coding: utf-8 -*-
+"""Tools related to the configuration file handling."""
 import copy
 import pathlib