update compare and convolve to accept multiple pdfs

docs/source/overview/running.rst

@@ -50,7 +50,7 @@ Then you can convolve the |EKO| with the grids by running::
 
 Note that you can also convolve a single grid with a single eko (obtaining a single FK table) by running::
 
-  pineko convolve GRID OPCARD FKTABLE MAX_AS MAX_AL
+  pineko convolve GRID FKTABLE MAX_AS MAX_AL OP_PATH_1 OP_PATH_2
 
 If necessary it is possible to specify the values of the *renormalization* and *factorization* scale variations with
 the options ``--xir`` and ``--xif``.
@@ -91,7 +91,7 @@ Comparing grids and FK tables
 With the command ``pineko compare`` it is possible to compare the predictions as provided by the grid
 (convolved with a |PDF|) with the predictions as provided by the |FK| table. This is done like
 
-  pineko compare GRID FKTABLE MAX_AS MAX_AL PDF
+  pineko compare GRID FKTABLE MAX_AS MAX_AL PDF_1 PDF_2
 
 again eventually specifying the values of *renormalization* and *factorization* scales with the
 appropriate options.

pyproject.toml

@@ -26,7 +26,7 @@ packages = [{ include = "pineko", from = "src" }]
 [tool.poetry.dependencies]
 python = ">=3.9,<3.13"
 eko = "^0.14.2"
-pineappl = "^0.8.1"
+pineappl = "^0.8.2"
 PyYAML = "^6.0"
 numpy = "^1.21.0"
 pandas = "^2.1"

src/pineko/cli/compare.py

@@ -13,10 +13,10 @@
 @click.argument("fktable_path", type=click.Path())
 @click.argument("max_as", type=int)
 @click.argument("max_al", type=int)
-@click.argument("pdf", type=str)
+@click.argument("pdfs", type=click.STRING, nargs=-1)
 @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):
+def subcommand(pineappl_path, fktable_path, max_as, max_al, pdfs, xir, xif):
     """Compare process level PineAPPL grid and derived FK Table.
 
     The comparison between the grid stored at PINEAPPL_PATH, and the FK table
@@ -31,5 +31,9 @@ def subcommand(pineappl_path, fktable_path, max_as, max_al, pdf, xir, xif):
     """
     pine = pineappl.grid.Grid.read(pineappl_path)
     fk = pineappl.fk_table.FkTable.read(fktable_path)
+    pdf1 = pdfs[0]
+    pdf2 = pdfs[1] if len(pdfs) == 2 else None
     # Note that we need to cast to string before printing to avoid ellipsis ...
-    rich.print(comparator.compare(pine, fk, max_as, max_al, pdf, xir, xif).to_string())
+    rich.print(
+        comparator.compare(pine, fk, max_as, max_al, pdf1, xir, xif, pdf2).to_string()
+    )

src/pineko/cli/convolve.py

@@ -11,15 +11,21 @@
 
 @command.command("convolve")
 @click.argument("grid_path", type=click.Path(exists=True))
-@click.argument("op_path", type=click.Path(exists=True))
 @click.argument("fktable", type=click.Path())
 @click.argument("max_as", type=int)
 @click.argument("max_al", type=int)
+@click.argument("op_paths", type=click.Path(exists=True), nargs=-1)
 @click.option("--xir", default=1.0, help="renormalization scale variation")
 @click.option("--xif", default=1.0, help="factorization scale variation")
 @click.option("--min_as", type=int, help="Minimum exponent of as")
 @click.option(
-    "--pdf", default=None, help="if given, print comparison table", show_default=True
+    "--pdf1",
+    default=None,
+    help="PDF for the first convolution. If given, print comparison table",
+    show_default=True,
+)
+@click.option(
+    "--pdf2", default=None, help="PDF for the second convolution.", show_default=True
 )
 @click.option(
     "--assumptions",
@@ -28,11 +34,22 @@
     show_default=True,
 )
 def subcommand(
-    grid_path, op_path, fktable, max_as, max_al, xir, xif, pdf, assumptions, min_as
+    grid_path,
+    fktable,
+    max_as,
+    max_al,
+    op_paths,
+    xir,
+    xif,
+    pdf1,
+    pdf2,
+    assumptions,
+    min_as,
 ):
     """Convolute PineAPPL grid and EKO into an FK table.
 
-    GRID_PATH and OP_PATH are the path to the respective elements to convolve, and
+    GRID_PATH and OP_PATH are the path to the respective elements to convolve.
+    Note that multiple operators are allowed.
     FKTABLE is the path where to dump the output.
 
     MAX_AS and MAX_AL are used to specify the order in QCD and QED
@@ -50,26 +67,46 @@ def subcommand(
     PDF is an optional PDF set compatible with the EKO to compare grid and FK table.
     """
     grid = pineappl.grid.Grid.read(grid_path)
-    with eko.EKO.edit(op_path) as operators:
+    n_ekos = len(op_paths)
+    with eko.EKO.edit(op_paths[0]) as operators_a:
         rich.print(
             rich.panel.Panel.fit("Computing ...", style="magenta", box=rich.box.SQUARE),
             f"   {grid_path}\n",
-            f"+ {op_path}\n",
+            f"+ {op_paths}\n",
             f"= {fktable}\n",
             f"with max_as={max_as}, max_al={max_al}, xir={xir}, xif={xif}",
             f"min_as: {min_as}" if min_as is not None else "",
         )
-        _grid, _fk, comp = evolve.evolve_grid(
-            grid,
-            operators,
-            fktable,
-            max_as,
-            max_al,
-            xir,
-            xif,
-            assumptions=assumptions,
-            comparison_pdf=pdf,
-            min_as=min_as,
-        )
+        if n_ekos == 1:
+            _grid, _fk, comp = evolve.evolve_grid(
+                grid,
+                operators_a,
+                fktable,
+                max_as,
+                max_al,
+                xir,
+                xif,
+                assumptions=assumptions,
+                comparison_pdf1=pdf1,
+                comparison_pdf2=pdf2,
+                min_as=min_as,
+            )
+        else:
+            with eko.EKO.edit(op_paths[1]) as operators_b:
+                _grid, _fk, comp = evolve.evolve_grid(
+                    grid,
+                    operators_a,
+                    fktable,
+                    max_as,
+                    max_al,
+                    xir,
+                    xif,
+                    operators_b=operators_b,
+                    assumptions=assumptions,
+                    comparison_pdf1=pdf1,
+                    comparison_pdf2=pdf2,
+                    min_as=min_as,
+                )
+
         if comp is not None:
             print(comp.to_string())

src/pineko/comparator.py

@@ -5,7 +5,7 @@
 import pineappl
 
 
-def compare(pine, fktable, max_as, max_al, pdf, xir, xif):
+def compare(pine, fktable, max_as, max_al, pdf1, xir, xif, pdf2=None):
     """Build comparison table.
 
     Parameters
@@ -18,12 +18,14 @@ def compare(pine, fktable, max_as, max_al, pdf, xir, xif):
         maximum power of strong coupling
     max_al : int
         maximum power of electro-weak coupling
-    pdf : str
+    pdf1 : str
         PDF set name
     xir : float
         renormalization scale variation
     xif : float
         factorization scale variation
+    pdf2: str or None
+        PDF set for the second convolution, if different from the first
 
     Returns
     -------
@@ -32,19 +34,53 @@ def compare(pine, fktable, max_as, max_al, pdf, xir, xif):
     """
     import lhapdf  # pylint: disable=import-error,import-outside-toplevel
 
-    pdfset = lhapdf.mkPDF(pdf, 0)
-    pdgid = int(pdfset.set().get_entry("Particle"))
+    pdfset1 = lhapdf.mkPDF(pdf1, 0)
+    pdgid1 = int(pdfset1.set().get_entry("Particle"))
+
+    if pdf2 is not None:
+        pdfset2 = lhapdf.mkPDF(pdf1, 0)
+        pdgid2 = int(pdfset2.set().get_entry("Particle"))
+    else:
+        pdfset2 = pdfset1
+        pdgid2 = pdgid1
+
+    try:
+        parton1 = pine.key_values()["convolution_particle_1"]
+        parton2 = pine.key_values()["convolution_particle_2"]
+    except KeyError:
+        parton1 = pine.key_values()["initial_state_1"]
+        parton2 = pine.key_values()["initial_state_2"]
+    hadronic = parton1 == parton2
+
     order_mask = pineappl.grid.Order.create_mask(pine.orders(), max_as, max_al, True)
-    before = np.array(
-        pine.convolve_with_one(
-            pdgid,
-            pdfset.xfxQ2,
-            pdfset.alphasQ2,
-            order_mask=order_mask,
-            xi=((xir, xif),),
+    if hadronic:
+        before = np.array(
+            pine.convolve_with_two(
+                pdgid1,
+                pdfset1.xfxQ2,
+                pdfset1.alphasQ2,
+                pdgid2,
+                pdfset2.xfxQ2,
+                pdfset2.alphasQ2,
+                order_mask=order_mask,
+                xi=((xir, xif),),
+            )
         )
-    )
-    after = np.array(fktable.convolve_with_one(pdgid, pdfset.xfxQ2))
+        after = np.array(
+            fktable.convolve_with_one(pdgid1, pdfset1.xfxQ2, pdgid2, pdfset2.xfxQ2)
+        )
+    else:
+        before = np.array(
+            pine.convolve_with_one(
+                pdgid1,
+                pdfset1.xfxQ2,
+                pdfset1.alphasQ2,
+                order_mask=order_mask,
+                xi=((xir, xif),),
+            )
+        )
+        after = np.array(fktable.convolve_with_one(pdgid1, pdfset1.xfxQ2))
+
     df = pd.DataFrame()
     # add bin info
     for d in range(pine.bin_dimensions()):

src/pineko/evolve.py

@@ -279,7 +279,8 @@ def evolve_grid(
     xif,
     operators_b=None,
     assumptions="Nf6Ind",
-    comparison_pdf=None,
+    comparison_pdf1=None,
+    comparison_pdf2=None,
     meta_data=None,
     min_as=None,
 ):
@@ -305,8 +306,10 @@ def evolve_grid(
         additonal evolution operator if different from operators_a
     assumptions : str
         assumptions on the flavor dimension
-    comparison_pdf : None or str
+    comparison_pdf1 : None or str
         if given, a comparison table (with / without evolution) will be printed
+    comparison_pdf2 : None or str
+        PDF set for the second convolution if different from the first one
     meta_data : None or dict
         if given, additional meta data written to the FK table
     min_as: None or int
@@ -421,12 +424,13 @@ def prepare(operator, items):
             fktable.set_key_value(k, v)
     # compare before/after
     comparison = None
-    if comparison_pdf is not None:
+    if comparison_pdf1 is not None:
         comparison = comparator.compare(
-            grid, fktable, max_as, max_al, comparison_pdf, xir, xif
+            grid, fktable, max_as, max_al, comparison_pdf1, xir, xif, comparison_pdf2
         )
         fktable.set_key_value("results_fk", comparison.to_string())
-        fktable.set_key_value("results_fk_pdfset", comparison_pdf)
+        fktable.set_key_value("results_fk_pdfset1", comparison_pdf1)
+        fktable.set_key_value("results_fk_pdfset2", comparison_pdf2)
     # write
     fktable.write_lz4(str(fktable_path))
     return grid, fktable, comparison