Merge branch 'master' into manipulate-operators

.pre-commit-config.yaml

@@ -32,7 +32,7 @@ repos:
       - id: isort
         args: ["--profile", "black"]
   - repo: https://github.com/asottile/pyupgrade
-    rev: v3.16.0
+    rev: v3.17.0
     hooks:
       - id: pyupgrade
   - repo: https://github.com/pycqa/pydocstyle
@@ -43,6 +43,13 @@ repos:
         args: ["--add-ignore=D107,D105"]
         additional_dependencies:
           - toml
+  - repo: https://github.com/pre-commit/mirrors-mypy
+    rev: v1.4.1
+    hooks:
+      - id: mypy
+        additional_dependencies: [types-PyYAML]
+        pass_filenames: false
+        args: ["--ignore-missing-imports", "src/"]
   - repo: local
     hooks:
     - id: fmt
@@ -53,6 +60,6 @@ repos:
       files: ^crates/.*\.rs$
       args: []
   - repo: https://github.com/pre-commit/pre-commit
-    rev: v3.7.1
+    rev: v3.8.0
     hooks:
       - id: validate_manifest

crates/doc-header.html

@@ -0,0 +1,65 @@
+<link rel="stylesheet" href="https://cdn.jsdelivr.net/npm/[email protected]/dist/katex.min.css" integrity="sha384-wcIxkf4k558AjM3Yz3BBFQUbk/zgIYC2R0QpeeYb+TwlBVMrlgLqwRjRtGZiK7ww" crossorigin="anonymous">
+<script defer src="https://cdn.jsdelivr.net/npm/[email protected]/dist/katex.min.js" integrity="sha384-hIoBPJpTUs74ddyc4bFZSM1TVlQDA60VBbJS0oA934VSz82sBx1X7kSx2ATBDIyd" crossorigin="anonymous"></script>
+<script defer src="https://cdn.jsdelivr.net/npm/[email protected]/dist/contrib/auto-render.min.js" integrity="sha384-43gviWU0YVjaDtb/GhzOouOXtZMP/7XUzwPTstBeZFe/+rCMvRwr4yROQP43s0Xk" crossorigin="anonymous"></script>
+<script>
+    document.addEventListener("DOMContentLoaded", function() {
+        // activate KaTeX
+        renderMathInElement(document.body, {
+          // customised options
+          // • auto-render specific keys, e.g.:
+          delimiters: [
+              {left: '$$', right: '$$', display: true},
+              {left: '$', right: '$', display: false},
+              {left: '\\(', right: '\\)', display: false},
+              {left: '\\[', right: '\\]', display: true}
+          ],
+          // • rendering keys, e.g.:
+          throwOnError : false
+        });
+
+        // Allow abbreviations
+        let abbrevs = {
+            "EKO": "Evolution Kernel Operator",
+            "PDF": "Parton Distribution Function(s)",
+            "FF": "Fragmentation Function(s)",
+            "FNS": "Flavor Number Scheme",
+            "FFNS": "Fixed Flavor Number Scheme",
+            "VFNS": "Variable Flavor Number Scheme",
+            "LO": "Leading Order",
+            "NLO": "Next-to-Leading Order",
+            "NNLO": "Next-to-Next-to-Leading Order",
+            "N3LO": "Next-to-Next-to-Next-to-Leading Order",
+            "LL": "Leading Log",
+            "NLL": "Next-to-Leading Log",
+            "NNLL": "Next-to-Next-to-Leading Log",
+            "DGLAP": "Dokshitzer-Gribov-Lipatov-Altarelli-Parisi",
+            "PID": "(Monte Carlo) parton identifier",
+            "OME": "Operator Matrix Element",
+            "RGE": "Renormalization Group Equation",
+            "MHOU": "Missing Higher Order Uncertainties",
+            "QCD": "Quantum Chromodynamics",
+            "QED": "Quantum Electrodynamics",
+            "DIS": "Deep Inelastic Scattering",
+            "BFKL": "Balitsky-Fadin-Kuraev-Lipatov",
+            "FHMRUVV": "Falcioni, Herzog, Moch, Ruijl, Ueda, Vermaseren and Vogt",
+            "API": "Application Program Interface",
+        };
+        // parse abbreviations
+        let parsedAbbrevs = {};
+        for (el in abbrevs) {
+            parsedAbbrevs["|" + el + "|"] = "<abbr title='"+abbrevs[el]+"' >"+el+"</abbr>";
+        }
+        // do the actual replace
+        function replaceAbbrev(el) {
+            let txt = el.textContent;
+            for (k in parsedAbbrevs)
+                txt = txt.replace(k, parsedAbbrevs[k]);
+            el.innerHTML = txt;
+        }
+        // search texts
+        let longs = document.getElementsByClassName("docblock");
+        for (let el of longs) replaceAbbrev(el);
+        let shorts = document.getElementsByClassName("docblock-short");
+        for (let el of shorts) replaceAbbrev(el);
+    });
+</script>

crates/eko/Cargo.toml

@@ -13,7 +13,7 @@ rust-version.workspace = true
 version.workspace = true
 
 [package.metadata.docs.rs]
-rustdoc-args = ["--html-in-header", "katex-header.html"]
+rustdoc-args = ["--html-in-header", "doc-header.html"]
 
 [lib]
 name = "ekors"

crates/eko/doc-header.html

@@ -0,0 +1 @@
+../doc-header.html

crates/ekore/Cargo.toml

@@ -13,7 +13,7 @@ rust-version.workspace = true
 version.workspace = true
 
 [package.metadata.docs.rs]
-rustdoc-args = ["--html-in-header", "katex-header.html"]
+rustdoc-args = ["--html-in-header", "doc-header.html"]
 
 # See more keys and their definitions at https://doc.rust-lang.org/cargo/reference/manifest.html
 

crates/ekore/doc-header.html

@@ -0,0 +1 @@
+../doc-header.html

crates/parse-abbrev.py

@@ -0,0 +1,20 @@
+"""Parse abbreviations from sphinx to Rust."""
+
+import pathlib
+import re
+
+SRC = (
+    pathlib.Path(__file__).parents[1]
+    / "doc"
+    / "source"
+    / "shared"
+    / "abbreviations.rst"
+)
+
+cnt = SRC.read_text("utf-8")
+for el in cnt.split(".."):
+    test = re.match(r"\s*(.+)\s+replace::\n\s+:abbr:`(.+?)\((.+)\)`", el.strip())
+    if test is None:
+        continue
+    # Print to terminal - the user can dump to the relevant file
+    print(f'"{test[2].strip()}": "{test[3].strip()}",')

src/eko/couplings.py

@@ -9,10 +9,11 @@
 """
 
 import logging
-from typing import Iterable, List
+from typing import Dict, Iterable, List, Tuple
 
 import numba as nb
 import numpy as np
+import numpy.typing as npt
 import scipy
 
 from . import constants, matchings
@@ -383,6 +384,10 @@ def couplings_expanded_fixed_alphaem(order, couplings_ref, nf, scale_from, scale
     return np.array([res_as, aem])
 
 
+_CouplingsCacheKey = Tuple[float, float, int, float, float]
+"""Cache key containing (a0, a1, nf, scale_from, scale_to)."""
+
+
 class Couplings:
     r"""Compute the strong and electromagnetic coupling constants :math:`a_s, a_{em}`.
 
@@ -480,7 +485,7 @@ def assert_positive(name, var):
                 self.decoupled_running,
             )
         # cache
-        self.cache = {}
+        self.cache: Dict[_CouplingsCacheKey, npt.NDArray] = {}
 
     @property
     def mu2_ref(self):

src/eko/evolution_operator/__init__.py

@@ -8,6 +8,7 @@
 import os
 import time
 from multiprocessing import Pool
+from typing import Dict, Tuple
 
 import numba as nb
 import numpy as np
@@ -20,6 +21,8 @@
 from .. import basis_rotation as br
 from .. import interpolation, mellin
 from .. import scale_variations as sv
+from ..io.types import EvolutionMethod, OperatorLabel
+from ..kernels import ev_method
 from ..kernels import non_singlet as ns
 from ..kernels import non_singlet_qed as qed_ns
 from ..kernels import singlet as s
@@ -600,7 +603,11 @@ def quad_ker_qed(
     return ker
 
 
-class Operator(sv.ModeMixin):
+OpMembers = Dict[OperatorLabel, OpMember]
+"""Map of all operators."""
+
+
+class Operator(sv.ScaleVariationModeMixin):
     """Internal representation of a single EKO.
 
     The actual matrices are computed upon calling :meth:`compute`.
@@ -625,8 +632,8 @@ class Operator(sv.ModeMixin):
 
     log_label = "Evolution"
     # complete list of possible evolution operators labels
-    full_labels = br.full_labels
-    full_labels_qed = br.full_unified_labels
+    full_labels: Tuple[OperatorLabel, ...] = br.full_labels
+    full_labels_qed: Tuple[OperatorLabel, ...] = br.full_unified_labels
 
     def __init__(
         self, config, managers, segment: Segment, mellin_cut=5e-2, is_threshold=False
@@ -639,9 +646,9 @@ def __init__(
         # TODO make 'cut' external parameter?
         self._mellin_cut = mellin_cut
         self.is_threshold = is_threshold
-        self.op_members = {}
+        self.op_members: OpMembers = {}
         self.order = tuple(config["order"])
-        self.alphaem_running = self.managers["couplings"].alphaem_running
+        self.alphaem_running = self.managers.couplings.alphaem_running
         if self.log_label == "Evolution":
             self.a = self.compute_a()
             self.as_list, self.a_half_list = self.compute_aem_list()
@@ -663,7 +670,7 @@ def xif2(self):
     @property
     def int_disp(self):
         """Return the interpolation dispatcher."""
-        return self.managers["interpol_dispatcher"]
+        return self.managers.interpolator
 
     @property
     def grid_size(self):
@@ -686,7 +693,7 @@ def mu2(self):
 
     def compute_a(self):
         """Return the computed values for :math:`a_s` and :math:`a_{em}`."""
-        coupling = self.managers["couplings"]
+        coupling = self.managers.couplings
         a0 = coupling.a(
             self.mu2[0],
             nf_to=self.nf,
@@ -722,7 +729,7 @@ def compute_aem_list(self):
             as_list = np.array([self.a_s[0], self.a_s[1]])
             a_half = np.zeros((ev_op_iterations, 2))
         else:
-            couplings = self.managers["couplings"]
+            couplings = self.managers.couplings
             mu2_steps = np.geomspace(self.q2_from, self.q2_to, 1 + ev_op_iterations)
             mu2_l = mu2_steps[0]
             as_list = np.array(
@@ -780,6 +787,11 @@ def labels(self):
                 labels.extend(br.singlet_unified_labels)
         return labels
 
+    @property
+    def ev_method(self):
+        """Return the evolution method."""
+        return ev_method(EvolutionMethod(self.config["method"]))
+
     def quad_ker(self, label, logx, areas):
         """Return partially initialized integrand function.
 
@@ -803,7 +815,7 @@ def quad_ker(self, label, logx, areas):
             order=self.order,
             mode0=label[0],
             mode1=label[1],
-            method=self.config["method"],
+            method=self.ev_method,
             is_log=self.int_disp.log,
             logx=logx,
             areas=areas,

src/eko/evolution_operator/__init__.py.patch

@@ -1,8 +1,8 @@
 diff --git a/src/eko/evolution_operator/__init__.py b/src/eko/evolution_operator/__init__.py
-index 1c759c5c..5eb394d0 100644
+index fe07ade9..0f58c9e5 100644
 --- a/src/eko/evolution_operator/__init__.py
 +++ b/src/eko/evolution_operator/__init__.py
-@@ -3,15 +3,15 @@ r"""Contains the central operator classes.
+@@ -3,16 +3,16 @@ r"""Contains the central operator classes.
  See :doc:`Operator overview </code/Operators>`.
  """
 
@@ -11,6 +11,7 @@ index 1c759c5c..5eb394d0 100644
  import os
  import time
  from multiprocessing import Pool
+ from typing import Dict, Tuple
 
 +import ekors
  import numba as nb
@@ -20,7 +21,7 @@ index 1c759c5c..5eb394d0 100644
 
  import ekore.anomalous_dimensions.polarized.space_like as ad_ps
  import ekore.anomalous_dimensions.unpolarized.space_like as ad_us
-@@ -27,92 +27,10 @@ from ..kernels import singlet_qed as qed_s
+@@ -30,92 +30,10 @@ from ..kernels import singlet_qed as qed_s
  from ..kernels import valence_qed as qed_v
  from ..matchings import Segment, lepton_number
  from ..member import OpMember
@@ -114,7 +115,7 @@ index 1c759c5c..5eb394d0 100644
  spec = [
      ("is_singlet", nb.boolean),
      ("is_QEDsinglet", nb.boolean),
-@@ -184,422 +102,6 @@ class QuadKerBase:
+@@ -187,421 +105,6 @@ class QuadKerBase:
          return self.path.prefactor * pj * self.path.jac
 
 
@@ -533,13 +534,12 @@ index 1c759c5c..5eb394d0 100644
 -            )
 -    return ker
 -
--
- class Operator(sv.ModeMixin):
-     """Internal representation of a single EKO.
 
-@@ -780,50 +282,6 @@ class Operator(sv.ModeMixin):
-                 labels.extend(br.singlet_unified_labels)
-         return labels
+ OpMembers = Dict[OperatorLabel, OpMember]
+ """Map of all operators."""
+@@ -792,50 +295,6 @@ class Operator(sv.ScaleVariationModeMixin):
+         """Return the evolution method."""
+         return ev_method(EvolutionMethod(self.config["method"]))
 
 -    def quad_ker(self, label, logx, areas):
 -        """Return partially initialized integrand function.
@@ -564,7 +564,7 @@ index 1c759c5c..5eb394d0 100644
 -            order=self.order,
 -            mode0=label[0],
 -            mode1=label[1],
--            method=self.config["method"],
+-            method=self.ev_method,
 -            is_log=self.int_disp.log,
 -            logx=logx,
 -            areas=areas,
@@ -588,7 +588,7 @@ index 1c759c5c..5eb394d0 100644
      def initialize_op_members(self):
          """Init all operators with the identity or zeros."""
          eye = OpMember(
-@@ -846,10 +304,7 @@ class Operator(sv.ModeMixin):
+@@ -858,10 +317,7 @@ class Operator(sv.ScaleVariationModeMixin):
              else:
                  self.op_members[n] = zero.copy()
 
@@ -600,7 +600,7 @@ index 1c759c5c..5eb394d0 100644
          """Run the integration for each grid point.
 
          Parameters
-@@ -864,18 +319,56 @@ class Operator(sv.ModeMixin):
+@@ -876,18 +332,56 @@ class Operator(sv.ScaleVariationModeMixin):
          """
          column = []
          k, logx = log_grid