From cf5e384ae745f5f67cc73d6fff5b4f7e18b25a58 Mon Sep 17 00:00:00 2001
From: RoyStegeman <roystegeman@live.nl>
Date: Wed, 26 Jun 2024 10:58:31 +0100
Subject: [PATCH 1/5] replace deprecated scipy.integrate.simps with simpson

---
 validphys2/src/validphys/arclength.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/validphys2/src/validphys/arclength.py b/validphys2/src/validphys/arclength.py
index 88169ae77b..48258f52d3 100644
--- a/validphys2/src/validphys/arclength.py
+++ b/validphys2/src/validphys/arclength.py
@@ -3,6 +3,7 @@
 
 Module for the computation and presentation of arclengths.
 """
+
 from collections import namedtuple
 from collections.abc import Sequence
 import numbers
@@ -78,7 +79,7 @@ def arc_lengths(
         # PDFs evaluated on grid, use the entire thing, the Stats class will chose later
         xfgrid = xplotting_grid(pdf, Q, ixgrid, basis, flavours).grid_values.data * ixgrid[1]
         fdiff = np.diff(xfgrid) / eps  # Compute forward differences
-        res += integrate.simps(np.sqrt(1 + np.square(fdiff)), ixgrid[1][1:])
+        res += integrate.simpson(np.sqrt(1 + np.square(fdiff)), x=ixgrid[1][1:])
     stats = pdf.stats_class(res)
     return ArcLengthGrid(pdf, basis, flavours, stats)
 
@@ -150,7 +151,7 @@ def integrability_number(
     basis: (str, Basis) = "evolution",
     flavours: (list, tuple, type(None)) = None,
 ):
-    """Return \sum_i |x_i*f(x_i)|, x_i = {1e-9, 1e-8, 1e-7}
+    r"""Return \sum_i |x_i*f(x_i)|, x_i = {1e-9, 1e-8, 1e-7}
     for selected flavours
     """
     checked = check_basis(basis, flavours)

From 40ccac54ffa85d477943c49de6182abaad23d13d Mon Sep 17 00:00:00 2001
From: RoyStegeman <roystegeman@live.nl>
Date: Mon, 24 Jun 2024 15:58:55 +0100
Subject: [PATCH 2/5] add POS_DIS process instead of POS_F2

---
 .../NNPDF_POS_2P24GEV/metadata.yaml            | 18 +++++++++---------
 validphys2/src/validphys/process_options.py    |  6 +++---
 2 files changed, 12 insertions(+), 12 deletions(-)

diff --git a/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/metadata.yaml b/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/metadata.yaml
index d9dffbdaa0..b135bc2715 100644
--- a/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/metadata.yaml
+++ b/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/metadata.yaml
@@ -56,7 +56,7 @@ implemented_observables:
     description: Deep Inelastic Scattering
     label: 'positivity dataset: DIS $c+\bar{c}$ structure function $F_2^c$'
     units: ''
-  process_type: POS_F2
+  process_type: POS_DIS
   tables: []
   npoints: []
   ndata: 20
@@ -91,7 +91,7 @@ implemented_observables:
     description: Deep Inelastic Scattering
     label: 'positivity dataset: DIS $c$ structure function $F_2^{W^-,c}$'
     units: ''
-  process_type: POS_F2
+  process_type: POS_DIS
   tables: []
   npoints: []
   ndata: 17
@@ -126,7 +126,7 @@ implemented_observables:
     description: Deep Inelastic Scattering
     label: 'positivity dataset: DIS $d+\bar{d}$ structure function $F_2^d$'
     units: ''
-  process_type: POS_F2
+  process_type: POS_DIS
   tables: []
   npoints: []
   ndata: 20
@@ -161,7 +161,7 @@ implemented_observables:
     description: Deep Inelastic Scattering
     label: 'positivity dataset: DIS $s+\bar{s}$ structure function $F_2^s$'
     units: ''
-  process_type: POS_F2
+  process_type: POS_DIS
   tables: []
   npoints: []
   ndata: 20
@@ -196,7 +196,7 @@ implemented_observables:
     description: Deep Inelastic Scattering
     label: 'positivity dataset: DIS light quark longitudinal structure function $F_L^l$'
     units: ''
-  process_type: POS_FLL
+  process_type: POS_DIS
   tables: []
   npoints: []
   ndata: 20
@@ -454,7 +454,7 @@ implemented_observables:
     description: Deep Inelastic Scattering
     label: 'positivity dataset: DIS $c+\bar{c}$ structure function $F_2^c$'
     units: ''
-  process_type: POS_F2
+  process_type: POS_DIS
   tables: []
   npoints: []
   ndata: 17
@@ -489,7 +489,7 @@ implemented_observables:
     description: Deep Inelastic Scattering
     label: 'positivity dataset: CC DIS $\bar{c}$ structure function $F_2^{W^+,c}$'
     units: ''
-  process_type: POS_F2
+  process_type: POS_DIS
   tables: []
   npoints: []
   ndata: 17
@@ -524,7 +524,7 @@ implemented_observables:
     description: Deep Inelastic Scattering
     label: 'positivity dataset: DIS $u+\bar{u}$ structure function $F_2^u$'
     units: ''
-  process_type: POS_F2
+  process_type: POS_DIS
   tables: []
   npoints: []
   ndata: 20
@@ -559,7 +559,7 @@ implemented_observables:
     description: Deep Inelastic Scattering
     label: 'positivity dataset: DIS light quark longitudinal structure function $F_L^l$'
     units: ''
-  process_type: POS_FLL
+  process_type: POS_DIS
   tables: []
   npoints: []
   ndata: 19
diff --git a/validphys2/src/validphys/process_options.py b/validphys2/src/validphys/process_options.py
index 059ddcd28e..15460d1993 100644
--- a/validphys2/src/validphys/process_options.py
+++ b/validphys2/src/validphys/process_options.py
@@ -180,7 +180,7 @@ def _hqp_ptq_xq2map(kin_info):
 def _hqp_mqq_xq2map(kin_info):
     # Compute x, Q2
     #
-    # Theory predictions computed with HT/4 ~ m_ttbar/4 
+    # Theory predictions computed with HT/4 ~ m_ttbar/4
     Q = kin_info[_Vars.m_ttBar] / 4
     return Q / kin_info[_Vars.sqrts], Q * Q
 
@@ -310,7 +310,7 @@ def _dybosonpt_xq2map(kin_dict):
 
 POS_XPDF = _Process("POS_XPDF", "Positivity of MS bar PDFs", accepted_variables=(_Vars.x, _Vars.Q2))
 
-POS_F2 = _Process("POS_F2", "Positivity of F2 structure functions", accepted_variables=(_Vars.x, _Vars.Q2))
+POS_DIS = _Process("POS_DIS", "Positivity of F2 structure functions", accepted_variables=(_Vars.x, _Vars.Q2))
 
 PROCESSES = {
     "DIS": DIS,
@@ -331,7 +331,7 @@ def _dybosonpt_xq2map(kin_dict):
     "DY_W_ETA": dataclasses.replace(DY_2L, name="DY_W_ETA", description="DY W -> l nu (pseudo)rapidity"),
     "DY_NC_PT": dataclasses.replace(DY_PT, name="DY_NC_PT", description="DY Z (ll) + j"),
     "POS_XPDF": POS_XPDF,
-    "POS_F2": POS_F2,
+    "POS_DIS": POS_DIS,
 }
 
 

From a2e31221e4d5586d5144b61965a30a9d8f1f4886 Mon Sep 17 00:00:00 2001
From: RoyStegeman <roystegeman@live.nl>
Date: Mon, 24 Jun 2024 15:59:38 +0100
Subject: [PATCH 3/5] pre-commit

---
 validphys2/src/validphys/process_options.py | 22 +++++++++++++++------
 1 file changed, 16 insertions(+), 6 deletions(-)

diff --git a/validphys2/src/validphys/process_options.py b/validphys2/src/validphys/process_options.py
index 15460d1993..eed200002a 100644
--- a/validphys2/src/validphys/process_options.py
+++ b/validphys2/src/validphys/process_options.py
@@ -5,7 +5,7 @@
 """
 
 import dataclasses
-from typing import Callable, Optional, Tuple, Union
+from typing import Callable, Optional, Union
 
 import numpy as np
 from validobj.custom import Parser
@@ -71,7 +71,7 @@ def __getitem__(self, key):
 class _Process:
     name: str
     description: str
-    accepted_variables: Tuple[str]
+    accepted_variables: tuple[str]
     xq2map_function: Optional[Callable] = None
 
     def __hash__(self):
@@ -206,7 +206,6 @@ def _displusjet_xq2map(kin_info):
     return x, q2
 
 
-
 def _dyboson_xq2map(kin_info):
     """
     Computes x and q2 mapping for pseudo rapidity observables
@@ -259,7 +258,14 @@ def _dybosonpt_xq2map(kin_dict):
 HQP_YQ = _Process(
     "HQP_YQ",
     "(absolute) rapidity of top quark in top pair production",
-    accepted_variables=(_Vars.y_t, _Vars.y_ttBar, _Vars.m_t2, _Vars.sqrts, _Vars.m_ttBar, _Vars.pT_t),
+    accepted_variables=(
+        _Vars.y_t,
+        _Vars.y_ttBar,
+        _Vars.m_t2,
+        _Vars.sqrts,
+        _Vars.m_ttBar,
+        _Vars.pT_t,
+    ),
     xq2map_function=_hqp_yq_xq2map,
 )
 
@@ -310,7 +316,9 @@ def _dybosonpt_xq2map(kin_dict):
 
 POS_XPDF = _Process("POS_XPDF", "Positivity of MS bar PDFs", accepted_variables=(_Vars.x, _Vars.Q2))
 
-POS_DIS = _Process("POS_DIS", "Positivity of F2 structure functions", accepted_variables=(_Vars.x, _Vars.Q2))
+POS_DIS = _Process(
+    "POS_DIS", "Positivity of F2 structure functions", accepted_variables=(_Vars.x, _Vars.Q2)
+)
 
 PROCESSES = {
     "DIS": DIS,
@@ -328,7 +336,9 @@ def _dybosonpt_xq2map(kin_dict):
     "HERAJET": HERAJET,
     "HERADIJET": dataclasses.replace(HERAJET, name="HERADIJET", description="DIS + jj production"),
     "DY_Z_Y": dataclasses.replace(DY_2L, name="DY_Z_Y", description="DY Z -> ll (pseudo)rapidity"),
-    "DY_W_ETA": dataclasses.replace(DY_2L, name="DY_W_ETA", description="DY W -> l nu (pseudo)rapidity"),
+    "DY_W_ETA": dataclasses.replace(
+        DY_2L, name="DY_W_ETA", description="DY W -> l nu (pseudo)rapidity"
+    ),
     "DY_NC_PT": dataclasses.replace(DY_PT, name="DY_NC_PT", description="DY Z (ll) + j"),
     "POS_XPDF": POS_XPDF,
     "POS_DIS": POS_DIS,

From 7b1cb494fe3665ece86628c966704f7f8eecd170 Mon Sep 17 00:00:00 2001
From: RoyStegeman <roystegeman@live.nl>
Date: Wed, 26 Jun 2024 13:47:48 +0100
Subject: [PATCH 4/5] update k1,k2,k3 to x,Q2 in POS_DIS kinematics metadata

---
 .../NNPDF_POS_2P24GEV/metadata.yaml           | 42 +++++++------------
 1 file changed, 16 insertions(+), 26 deletions(-)

diff --git a/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/metadata.yaml b/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/metadata.yaml
index b135bc2715..ef5971153c 100644
--- a/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/metadata.yaml
+++ b/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/metadata.yaml
@@ -207,22 +207,17 @@ implemented_observables:
       $F_L^l$'
     plot_x: k1
   kinematic_coverage:
-  - k1
-  - k2
-  - k3
+  - x
+  - Q2
   kinematics:
     variables:
-      k1:
-        description: Variable k1
-        label: k1
-        units: ''
-      k2:
-        description: Variable k2
-        label: k2
+      x:
+        description: Bjorken x
+        label: x
         units: ''
-      k3:
-        description: Variable k3
-        label: k3
+      Q2:
+        description: Factorization scale
+        label: Q2
         units: ''
     file: kinematics_FLL.yaml
   theory:
@@ -570,22 +565,17 @@ implemented_observables:
       $F_L^l$'
     plot_x: k1
   kinematic_coverage:
-  - k1
-  - k2
-  - k3
+  - x
+  - Q2
   kinematics:
     variables:
-      k1:
-        description: Variable k1
-        label: k1
-        units: ''
-      k2:
-        description: Variable k2
-        label: k2
+      x:
+        description: Bjorken x
+        label: x
         units: ''
-      k3:
-        description: Variable k3
-        label: k3
+      Q2:
+        description: Factorization scale
+        label: Q2
         units: ''
     file: kinematics_FLL-19PTS.yaml
   theory:

From 598bca0ca0157effd99ee1019b6d2943c0f435b2 Mon Sep 17 00:00:00 2001
From: RoyStegeman <roystegeman@live.nl>
Date: Wed, 26 Jun 2024 14:23:06 +0100
Subject: [PATCH 5/5] replace k1,k2,k3 with x,Q2 in kinematics files for
 POS_FLL

---
 .../kinematics_FLL-19PTS.yaml                 | 152 +++++------------
 .../NNPDF_POS_2P24GEV/kinematics_FLL.yaml     | 160 +++++-------------
 2 files changed, 78 insertions(+), 234 deletions(-)

diff --git a/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/kinematics_FLL-19PTS.yaml b/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/kinematics_FLL-19PTS.yaml
index 9f78a90ce2..fe53ed59c0 100644
--- a/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/kinematics_FLL-19PTS.yaml
+++ b/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/kinematics_FLL-19PTS.yaml
@@ -1,229 +1,153 @@
 bins:
-- k1:
+- x:
     min: null
     mid: 1.940766723678e-06
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 7.533150951473e-06
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 2.924017738213e-05
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.0001134967265154
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.0004405413401349
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.001709975946677
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.006637328831201
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.02576301385941
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.1
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.18
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.26
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.34
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.42
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.5
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.58
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.66
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.74
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.82
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.9
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
diff --git a/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/kinematics_FLL.yaml b/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/kinematics_FLL.yaml
index 26edc37705..24b058bef1 100644
--- a/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/kinematics_FLL.yaml
+++ b/nnpdf_data/nnpdf_data/new_commondata/NNPDF_POS_2P24GEV/kinematics_FLL.yaml
@@ -1,241 +1,161 @@
 bins:
-- k1:
+- x:
     min: null
     mid: 5.0e-07
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 1.940766723678e-06
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 7.533150951473e-06
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 2.924017738213e-05
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.0001134967265154
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.0004405413401349
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.001709975946677
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.006637328831201
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.02576301385941
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.1
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.18
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.26
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.34
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.42
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.5
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.58
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.66
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.74
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.82
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null
-- k1:
+- x:
     min: null
     mid: 0.9
     max: null
-  k2:
+  Q2:
     min: null
     mid: 5.0
     max: null
-  k3:
-    min: null
-    mid: 0.0
-    max: null