Exposes Scales in the Grid creation of the Python API

pineappl_py/src/boc.rs

@@ -1,7 +1,7 @@
 //! Interface for bins, orders and channels.
 
 use numpy::{IntoPyArray, PyArray1};
-use pineappl::boc::{Channel, Kinematics, Order};
+use pineappl::boc::{Channel, Kinematics, Order, ScaleFuncForm, Scales};
 use pyo3::prelude::*;
 
 /// PyO3 wrapper to :rustdoc:`pineappl::boc::Channel <boc/struct.Channel.html>`.
@@ -63,10 +63,10 @@ impl PyKinematics {
     ///
     /// Parameters
     /// ----------
-    /// kinematic: int
-    ///     an integer representing the kinematic. 0 represents the scale,
-    ///     1 represents the momentum fraction of the first parton, and 2
-    ///     represents the momentum fraction of the second parton.
+    /// kintype: str
+    ///     the type of the kinematics, can be either `Scale` or `X`
+    /// value: int
+    ///     the index mapping to the value, eg. for `X` the integer `0` => `X1`
     #[new]
     #[must_use]
     pub fn new_kin(kintype: &str, value: usize) -> Self {
@@ -79,6 +79,93 @@ impl PyKinematics {
     }
 }
 
+/// PyO3 wrapper to :rustdoc:`pineappl::boc::ScaleFuncForm <boc/enum.ScaleFuncForm.html>`.
+#[pyclass(name = "ScaleFuncForm")]
+#[repr(transparent)]
+pub struct PyScaleFuncForm {
+    pub(crate) scale_func: ScaleFuncForm,
+}
+
+impl PyScaleFuncForm {
+    pub(crate) const fn new(scale_func: ScaleFuncForm) -> Self {
+        Self { scale_func }
+    }
+}
+
+#[pymethods]
+impl PyScaleFuncForm {
+    /// Constructor.
+    ///
+    /// Parameters
+    /// ----------
+    /// scaletype: str
+    ///     the type of the scales, can be `NoScale`, `Scale(int)`, etc.
+    /// value: list(int)
+    ///     list containing the index mapping to the corresponding value
+    #[new]
+    #[must_use]
+    pub fn new_scale(scaletype: &str, value: Vec<usize>) -> Self {
+        let scale = match scaletype {
+            "NoScale" => ScaleFuncForm::NoScale,
+            "Scale" => ScaleFuncForm::Scale(value[0]),
+            "QuadraticSum" => ScaleFuncForm::QuadraticSum(value[0], value[1]),
+            "QuadraticMean" => ScaleFuncForm::QuadraticMean(value[0], value[1]),
+            "QuadraticSumOver4" => ScaleFuncForm::QuadraticSumOver4(value[0], value[1]),
+            "LinearMean" => ScaleFuncForm::LinearMean(value[0], value[1]),
+            "LinearSum" => ScaleFuncForm::LinearSum(value[0], value[1]),
+            "ScaleMax" => ScaleFuncForm::ScaleMax(value[0], value[1]),
+            "ScaleMin" => ScaleFuncForm::ScaleMin(value[0], value[1]),
+            "Prod" => ScaleFuncForm::Prod(value[0], value[1]),
+            "S2plusS1half" => ScaleFuncForm::S2plusS1half(value[0], value[1]),
+            "Pow4Sum" => ScaleFuncForm::Pow4Sum(value[0], value[1]),
+            "WgtAvg" => ScaleFuncForm::WgtAvg(value[0], value[1]),
+            "S2plusS1fourth" => ScaleFuncForm::S2plusS1fourth(value[0], value[1]),
+            "ExpProd2" => ScaleFuncForm::ExpProd2(value[0], value[1]),
+            _ => todo!(),
+        };
+        Self::new(scale)
+    }
+}
+
+/// PyO3 wrapper to :rustdoc:`pineappl::boc::Scales <boc/struct.Scales.html>`.
+#[pyclass(name = "Scales")]
+pub struct PyScales {
+    pub(crate) scales: Scales,
+}
+
+impl PyScales {
+    pub(crate) const fn new(scales: Scales) -> Self {
+        Self { scales }
+    }
+}
+
+impl Default for PyScales {
+    fn default() -> Self {
+        Self::new(Scales {
+            ren: ScaleFuncForm::Scale(0),
+            fac: ScaleFuncForm::Scale(0),
+            frg: ScaleFuncForm::NoScale,
+        })
+    }
+}
+
+#[pymethods]
+impl PyScales {
+    /// Constructor for `Scales`
+    #[new]
+    #[must_use]
+    pub fn news_scales(
+        ren: PyRef<PyScaleFuncForm>,
+        fac: PyRef<PyScaleFuncForm>,
+        frg: PyRef<PyScaleFuncForm>,
+    ) -> Self {
+        let ren = ren.scale_func.clone();
+        let fac = fac.scale_func.clone();
+        let frg = frg.scale_func.clone();
+        Self::new(Scales { ren, fac, frg })
+    }
+}
+
 /// PyO3 wrapper to :rustdoc:`pineappl::boc::Order <boc/struct.Order.html>`.
 #[pyclass(name = "Order")]
 #[repr(transparent)]
@@ -189,5 +276,7 @@ pub fn register(parent_module: &Bound<'_, PyModule>) -> PyResult<()> {
     m.add_class::<PyChannel>()?;
     m.add_class::<PyOrder>()?;
     m.add_class::<PyKinematics>()?;
+    m.add_class::<PyScaleFuncForm>()?;
+    m.add_class::<PyScales>()?;
     parent_module.add_submodule(&m)
 }

pineappl_py/src/grid.rs

@@ -1,7 +1,7 @@
 //! Grid interface.
 
 use super::bin::PyBinRemapper;
-use super::boc::{PyChannel, PyKinematics, PyOrder};
+use super::boc::{PyChannel, PyKinematics, PyOrder, PyScales};
 use super::convolutions::PyConv;
 use super::evolution::{PyEvolveInfo, PyOperatorSliceInfo};
 use super::fk_table::PyFkTable;
@@ -10,7 +10,6 @@ use super::pids::PyPidBasis;
 use super::subgrid::PySubgridEnum;
 use ndarray::CowArray;
 use numpy::{IntoPyArray, PyArray1, PyReadonlyArray4};
-use pineappl::boc::{ScaleFuncForm, Scales};
 use pineappl::convolutions::ConvolutionCache;
 use pineappl::evolution::AlphasTable;
 use pineappl::grid::Grid;
@@ -55,6 +54,8 @@ impl PyGrid {
     ///     types of interpolations required by each kinematic
     /// kinematics : list(PyKinematics)
     ///     list of kinematics
+    /// scale_funcs : PyScales
+    ///     `Scales` object
     #[new]
     #[must_use]
     pub fn new_grid(
@@ -65,6 +66,7 @@ impl PyGrid {
         convolutions: Vec<PyRef<PyConv>>,
         interpolations: Vec<PyRef<PyInterp>>,
         kinematics: Vec<PyRef<PyKinematics>>,
+        scale_funcs: PyRef<PyScales>,
     ) -> Self {
         Self {
             grid: Grid::new(
@@ -81,11 +83,7 @@ impl PyGrid {
                     .map(|pyi| pyi.interp.clone())
                     .collect(),
                 kinematics.into_iter().map(|pyk| pyk.kinematics).collect(),
-                Scales {
-                    ren: ScaleFuncForm::Scale(0),
-                    fac: ScaleFuncForm::Scale(0),
-                    frg: ScaleFuncForm::NoScale,
-                },
+                scale_funcs.scales.clone(),
             ),
         }
     }

pineappl_py/tests/test_boc.py

@@ -11,7 +11,7 @@ def test_init(self):
 
 class TestKinematics:
     def test_init(self):
-        kin = Kinematics("Scale", 0)
+        kin = Kinematics(kintype="Scale", value=0)
         assert isinstance(kin, Kinematics)
 
 

pineappl_py/tests/test_evolution.py

@@ -8,7 +8,7 @@
 from typing import List
 
 import numpy as np
-from pineappl.boc import Channel, Kinematics
+from pineappl.boc import Channel, Kinematics, ScaleFuncForm, Scales
 from pineappl.convolutions import Conv, ConvType
 from pineappl.evolution import EvolveInfo, OperatorSliceInfo
 from pineappl.grid import Grid, Order
@@ -25,9 +25,9 @@ def fake_grid(
         bins: List[float] = [1e-7, 1e-3, 1],
     ) -> Grid:
         kinematics = [
-            Kinematics("Scale", 0),  # Scale
-            Kinematics("X", 0),  # x1 momentum fraction
-            Kinematics("X", 1),  # x2 momentum fraction
+            Kinematics(kintype="Scale", value=0),  # Scale
+            Kinematics(kintype="X", value=0),  # x1 momentum fraction
+            Kinematics(kintype="X", value=1),  # x2 momentum fraction
         ]
         # Define the interpolation specs for each item of the Kinematics
         interpolations = [
@@ -50,7 +50,13 @@ def fake_grid(
                 order=3,
             ),  # Interpolation on x2 momentum fraction
         ]
+        # Define the bin limits
         bin_limits = np.array(bins)
+        # Construct the `Scales` object
+        w_scale = ScaleFuncForm(scaletype="Scale", value=[0])
+        no_scale = ScaleFuncForm(scaletype="NoScale", value=[0])
+        scale_funcs = Scales(ren=w_scale, fac=w_scale, frg=no_scale)
+
         return Grid(
             pid_basis=PidBasis.Evol,
             channels=channels,
@@ -59,6 +65,7 @@ def fake_grid(
             convolutions=convolutions,
             interpolations=interpolations,
             kinematics=kinematics,
+            scale_funcs=scale_funcs,
         )
 
     def test_evolveinfo(self):

pineappl_py/tests/test_fk_table.py

@@ -8,7 +8,7 @@
 from typing import List
 
 import numpy as np
-from pineappl.boc import Channel, Kinematics
+from pineappl.boc import Channel, Kinematics, ScaleFuncForm, Scales
 from pineappl.convolutions import Conv, ConvType
 from pineappl.fk_table import FkAssumptions, FkTable
 from pineappl.grid import Grid, Order
@@ -65,7 +65,13 @@ def fake_grid(
                 interpolation_meth=InterpolationMethod.Lagrange,
             ),  # Interpolation on x2 momentum fraction
         ]
+        # Define the bin limits
         bin_limits = np.array(bins)
+        # Construct the `Scales` object
+        w_scale = ScaleFuncForm(scaletype="Scale", value=[0])
+        no_scale = ScaleFuncForm(scaletype="NoScale", value=[0])
+        scale_funcs = Scales(ren=w_scale, fac=w_scale, frg=no_scale)
+
         return Grid(
             pid_basis=PidBasis.Evol,
             channels=channels,
@@ -74,6 +80,7 @@ def fake_grid(
             convolutions=convolutions,
             interpolations=interpolations,
             kinematics=kinematics,
+            scale_funcs=scale_funcs,
         )
 
     def test_convolve(self):

pineappl_py/tests/test_grid.py

@@ -4,7 +4,7 @@
 import numpy as np
 import pytest
 from pineappl.bin import BinRemapper
-from pineappl.boc import Channel, Kinematics
+from pineappl.boc import Channel, Kinematics, ScaleFuncForm, Scales
 from pineappl.convolutions import Conv, ConvType
 from pineappl.grid import Grid, Order
 from pineappl.import_subgrid import ImportSubgridV1
@@ -105,9 +105,9 @@ def fake_grid(
         # 2nd item: parton momentum fraction of the 1st convolution
         # 3rd tiem: parton momentum fraction of the 2nd convolution
         kinematics = [
-            Kinematics("Scale", 0),  # Scale
-            Kinematics("X", 0),  # x1 momentum fraction
-            Kinematics("X", 1),  # x2 momentum fraction
+            Kinematics(kintype="Scale", value=0),  # Scale
+            Kinematics(kintype="X", value=0),  # x1 momentum fraction
+            Kinematics(kintype="X", value=1),  # x2 momentum fraction
         ]
         # Define the interpolation specs for each item of the Kinematics
         interpolations = [
@@ -130,7 +130,13 @@ def fake_grid(
                 order=3,
             ),  # Interpolation on x2 momentum fraction
         ]
+        # Define the bin limits
         bin_limits = np.array(bins)
+        # Construct the `Scales` object
+        w_scale = ScaleFuncForm(scaletype="Scale", value=[0])
+        no_scale = ScaleFuncForm(scaletype="NoScale", value=[0])
+        scale_funcs = Scales(ren=w_scale, fac=w_scale, frg=no_scale)
+
         return Grid(
             pid_basis=PidBasis.Evol,
             channels=channels,
@@ -139,6 +145,7 @@ def fake_grid(
             convolutions=convolutions,
             interpolations=interpolations,
             kinematics=kinematics,
+            scale_funcs=scale_funcs,
         )
 
     def test_init(self):

pineappl_py/tests/test_subgrid.py

@@ -1,6 +1,6 @@
 import numpy as np
 import pytest
-from pineappl.boc import Channel, Kinematics, Order
+from pineappl.boc import Channel, Kinematics, Order, ScaleFuncForm, Scales
 from pineappl.convolutions import Conv, ConvType
 from pineappl.grid import Grid
 from pineappl.import_subgrid import ImportSubgridV1
@@ -24,9 +24,9 @@ def fake_dis_grid(
     # on the meaning of the following parameters
     convolutions = [CONVOBJECT]  # Consider DIS-case
     kinematics = [
-        Kinematics("Scale", 0),  # Scale
-        Kinematics("X", 0),  # x1 momentum fraction
-        Kinematics("X", 1),  # x2 momentum fraction
+        Kinematics(kintype="Scale", value=0),  # Scale
+        Kinematics(kintype="X", value=0),  # x1 momentum fraction
+        Kinematics(kintype="X", value=1),  # x2 momentum fraction
     ]
     interpolations = [
         Interp(
@@ -48,6 +48,11 @@ def fake_dis_grid(
             order=3,
         ),  # Interpolation on x2 momentum fraction
     ]
+    # Construct the `Scales` object
+    w_scale = ScaleFuncForm(scaletype="Scale", value=[0])
+    no_scale = ScaleFuncForm(scaletype="NoScale", value=[0])
+    scale_funcs = Scales(ren=w_scale, fac=w_scale, frg=no_scale)
+
     return Grid(
         pid_basis=PidBasis.Evol,
         channels=channels,
@@ -56,6 +61,7 @@ def fake_dis_grid(
         convolutions=convolutions,
         interpolations=interpolations,
         kinematics=kinematics,
+        scale_funcs=scale_funcs,
     )