Address αs interpolation when defined in .dat

.github/actions/cache-data/action.yml

@@ -10,7 +10,7 @@ runs:
       uses: actions/cache@v4
       with:
         path: neopdf-data
-        key: data-v10
+        key: data-v11
     - name: Download data if cache miss
       if: steps.cache-data.outputs.cache-hit != 'true'
       run: |

.github/workflows/run-pyapi.yml

@@ -26,7 +26,7 @@ jobs:
           pip install maturin
           maturin develop --extras test
           export NEOPDF_DATA_PATH=/usr/share/LHAPDF
-          pytest
+          pytest --verbose
 
           # from https://github.com/NNPDF/pineappl/blob/master/.github/workflows/python.yml
           find . -name '*.profraw' -exec $(rustc --print target-libdir)/../bin/llvm-profdata merge -sparse -o neopdf.profdata {} +

CHANGELOG.md

@@ -9,6 +9,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ### Added
 
+- Added an additional `alpha_s` grid extraction (https://github.com/Radonirinaunimi/neopdf/pull/77).
 - Added a logic to compute Chebyshev interpolations in batches (https://github.com/Radonirinaunimi/neopdf/pull/64).
 - Added proper LHAPDF drop-in compatibility layer for no-code migration.
 - Added an interface to the Wolfram Language to allow Rust APIs to be called in

maintainer/download-data.sh

@@ -14,7 +14,9 @@ LHAPDF_SETS=(
   NNPDF40_nnlo_as_01175
   NNPDF40_nnlo_as_01185
   NNPDF40_nnlo_as_01190
+  ABMP16_5_nnlo
   ABMP16als118_5_nnlo
+  MSHT20nlo_as_smallrange_nf4
 )
 
 NEOPDF_SETS=(

neopdf/src/parser.rs

@@ -27,6 +27,8 @@ pub struct SubgridData {
 pub struct PdfData {
     pub subgrid_data: Vec<SubgridData>,
     pub pids: Vec<i32>,
+    pub alphas_q_values: Option<Vec<f64>>,
+    pub alphas_vals: Option<Vec<f64>>,
 }
 
 /// Manages the loading and parsing of LHAPDF data sets.
@@ -78,7 +80,17 @@ impl LhapdfSet {
 
         let pdf_data = Self::read_data(&data_path);
         let knot_array = GridArray::new(pdf_data.subgrid_data, pdf_data.pids);
-        (self.info.clone(), knot_array)
+
+        let mut info = self.info.clone();
+        if info.alphas_vals.is_empty() {
+            if let (Some(vals), Some(q_values)) = (pdf_data.alphas_vals, pdf_data.alphas_q_values) {
+                if !vals.is_empty() && !q_values.is_empty() {
+                    info.alphas_vals = vals;
+                    info.alphas_q_values = q_values;
+                }
+            }
+        }
+        (info, knot_array)
     }
 
     /// Reads the metadata and data for all members of the PDF set.
@@ -124,26 +136,45 @@ impl LhapdfSet {
         let content = fs::read_to_string(path).unwrap();
         let mut subgrid_data = Vec::new();
         let mut flavors = Vec::new();
+        let mut alphas_q_values: Option<Vec<f64>> = None;
+        let mut alphas_vals: Option<Vec<f64>> = None;
 
-        // Split the content by "---" to separate subgrids
         let blocks: Vec<&str> = content.split("---").map(|s| s.trim()).collect();
 
+        // NOTE: support cases in which `AlphaS` grid info are in `.dat` files.
+        if !blocks.is_empty() {
+            #[derive(serde::Deserialize)]
+            struct DatMeta {
+                #[serde(rename = "AlphaS_Qs", default)]
+                alphas_q_values: Vec<f64>,
+                #[serde(rename = "AlphaS_Vals", default)]
+                alphas_vals: Vec<f64>,
+            }
+
+            let metadata_block = blocks[0];
+            if let Ok(dat_meta) = serde_yaml::from_str::<DatMeta>(metadata_block) {
+                if !dat_meta.alphas_q_values.is_empty() {
+                    alphas_q_values = Some(dat_meta.alphas_q_values);
+                }
+                if !dat_meta.alphas_vals.is_empty() {
+                    alphas_vals = Some(dat_meta.alphas_vals);
+                }
+            }
+        }
+
         for block in blocks.iter().skip(1) {
-            // Skip empty blocks
             if block.is_empty() {
                 continue;
             }
 
             let mut lines = block.lines();
 
-            // Read the x knots
             let x_knots_line = lines.next().unwrap();
             let xs: Vec<f64> = x_knots_line
                 .split_whitespace()
                 .filter_map(|s| s.parse().ok())
                 .collect();
 
-            // Read the Q2 knots
             let q2_knots_line = lines.next().unwrap();
             let q2s: Vec<f64> = q2_knots_line
                 .split_whitespace()
@@ -163,7 +194,6 @@ impl LhapdfSet {
                 lines.next();
             }
 
-            // Read the grid values
             let mut grid_data = Vec::new();
             for line in lines {
                 let values: Vec<f64> = line
@@ -192,6 +222,8 @@ impl LhapdfSet {
         PdfData {
             subgrid_data,
             pids: flavors,
+            alphas_q_values,
+            alphas_vals,
         }
     }
 }

neopdf_pyapi/tests/conftest.py

@@ -4,13 +4,14 @@
 
 from neopdf.pdf import PDF as NeoPDF
 from neopdf.pdf import LazyPDFs
+from typing import List, Dict, Iterator
 
 
 @pytest.fixture(scope="session")
 def neo_pdf():
     cached_pdf = {}
 
-    def _init_pdf(pdfname: str) -> NeoPDF:
+    def _init_pdf(pdfname: str) -> Dict[str, NeoPDF]:
         if pdfname not in cached_pdf:
             cached_pdf[pdfname] = NeoPDF(pdfname)
         return cached_pdf[pdfname]
@@ -22,7 +23,7 @@ def _init_pdf(pdfname: str) -> NeoPDF:
 def neo_pdfs():
     cached_pdf = {}
 
-    def _init_pdf(pdfname: str) -> NeoPDF:
+    def _init_pdf(pdfname: str) -> Dict[str, List[NeoPDF]]:
         if pdfname not in cached_pdf:
             cached_pdf[pdfname] = NeoPDF.mkPDFs(pdfname)
         return cached_pdf[pdfname]
@@ -34,7 +35,7 @@ def _init_pdf(pdfname: str) -> NeoPDF:
 def neo_pdfs_lazy():
     cached_pdf = {}
 
-    def _init_pdf(pdfname: str) -> LazyPDFs:
+    def _init_pdf(pdfname: str) -> Dict[str, Iterator[LazyPDFs]]:
         if pdfname not in cached_pdf:
             cached_pdf[pdfname] = NeoPDF.mkPDFs_lazy(pdfname)
         return cached_pdf[pdfname]
@@ -46,14 +47,26 @@ def _init_pdf(pdfname: str) -> LazyPDFs:
 def lha_pdf():
     cached_pdf = {}
 
-    def _init_pdf(pdfname: str) -> lhapdf.PDF:
+    def _init_pdf(pdfname: str) -> Dict[str, lhapdf.PDF]:
         if pdfname not in cached_pdf:
             cached_pdf[pdfname] = lhapdf.mkPDF(pdfname)
         return cached_pdf[pdfname]
 
     return _init_pdf
 
 
+@pytest.fixture(scope="session")
+def lha_pdfs():
+    cached_pdf = {}
+
+    def _init_pdf(pdfname: str) -> Dict[str, List[lhapdf.PDF]]:
+        if pdfname not in cached_pdf:
+            cached_pdf[pdfname] = lhapdf.mkPDFs(pdfname)
+        return cached_pdf[pdfname]
+
+    return _init_pdf
+
+
 @pytest.fixture(scope="session")
 def xq2_points():
     def _xq2_points(

neopdf_pyapi/tests/test_pdfs.py

@@ -68,6 +68,8 @@ def test_xfxq2s(self, neo_pdf, lha_pdf, xq2_points, pdfname, pid):
         ref = [lhapdf.xfxQ2(pid, x, q2) for x, q2 in product(xs, q2s)]
         np.testing.assert_equal(res, [ref])
 
+
+class TestAlphaSInterpolations:
     @pytest.mark.parametrize("pdfname", ["NNPDF40_nnlo_as_01180", "MSHT20qed_an3lo"])
     def test_alphasQ2(self, neo_pdf, lha_pdf, pdfname):
         neopdf = neo_pdf(pdfname)
@@ -80,6 +82,23 @@ def test_alphasQ2(self, neo_pdf, lha_pdf, pdfname):
             res = neopdf.alphasQ2(q2_point)
             np.testing.assert_equal(res, ref)
 
+    @pytest.mark.parametrize(
+        "pdfname",
+        ["ABMP16_5_nnlo", "ABMP16als118_5_nnlo", "MSHT20nlo_as_smallrange_nf4"],
+    )
+    def test_alphasQ2_member(self, neo_pdfs, lha_pdfs, pdfname):
+        neopdf = neo_pdfs(pdfname)
+        lhapdf = lha_pdfs(pdfname)
+
+        for idx in range(len(neopdf)):
+            qs = neopdf[idx].metadata().alphas_q()
+            q2_points = [q * q for q in np.linspace(qs[0], qs[-1], num=100)]
+
+            for q2_point in q2_points:
+                ref = lhapdf[idx].alphasQ2(q2_point)
+                res = neopdf[idx].alphasQ2(q2_point)
+                np.testing.assert_equal(res, ref)
+
 
 class TestLazyLoader:
     @pytest.mark.parametrize("pdfname", ["NNPDF40_nnlo_as_01180.neopdf.lz4"])