Remove need for _template.yaml

src/pineko/evolve.py

@@ -22,7 +22,7 @@
 from eko.matchings import Atlas, nf_default
 from eko.quantities import heavy_quarks
 
-from . import check, comparator, version
+from . import check, comparator, version, template
 
 logger = logging.getLogger(__name__)
 
@@ -76,7 +76,6 @@ def get_convolution_suffix(convolution: pineappl.convolutions.Conv) -> str:
 
 def write_operator_card_from_file(
     pineappl_path: os.PathLike,
-    default_card_path: os.PathLike,
     card_path: os.PathLike,
     tcard: dict,
 ):
@@ -86,8 +85,6 @@ def write_operator_card_from_file(
     ----------
     pineappl_path : str or os.PathLike
         path to grid to evolve
-    default_card : str or os.PathLike
-        base operator card
     card_path : str or os.PathLike
         target path
     tcard: dict
@@ -106,12 +103,7 @@ def write_operator_card_from_file(
         raise FileNotFoundError(pineappl_path)
     pineappl_grid = pineappl.grid.Grid.read(pineappl_path)
     pineappl_grid.optimize()
-    default_card = yaml.safe_load(
-        pathlib.Path(default_card_path).read_text(encoding="utf-8")
-    )
-
-    return write_operator_card(pineappl_grid, default_card, card_path, tcard)
-
+    return write_operator_card(pineappl_grid, card_path, tcard)
 
 def dump_card(
     card_path: Union[str, os.PathLike],
@@ -148,7 +140,6 @@ def dump_card(
 
 def write_operator_card(
     pineappl_grid: pineappl.grid.Grid,
-    default_card: dict,
     card_path: Union[str, os.PathLike],
     tcard: dict,
 ):
@@ -158,8 +149,6 @@ def write_operator_card(
     ----------
     pineappl_grid : pineappl.grid.Grid
         grid to evolve
-    default_card : dict
-        base operator card
     card_path : str or os.PathLike
         target path
     tcard: dict
@@ -186,18 +175,19 @@ def write_operator_card(
     # ... to get the x and muF grids for the eko
     evol_info = pineappl_grid.evolve_info(order_mask)
     muf2_grid = evol_info.fac1
-    operators_card = copy.deepcopy(default_card)
+    operators_card = {}
+    operators_card["configs"] = {}
     sv_method = sv_scheme(tcard)
     xif = 1.0 if sv_method is not None else tcard["XIF"]
     # update scale variation method
-    operators_card["configs"]["scvar_method"] = sv_method
+    operators_card["configs"]["scvar_method"] = sv_scheme(tcard)
 
     operators_card["init"] = (tcard["Q0"], tcard["nf0"])
-    if default_card.get("init") is not None and default_card["init"] != [
+    if template.CONSTANTS["init"] is not None and template.CONSTANTS["init"] != (
         tcard["Q0"],
         tcard["nf0"],
-    ]:
-        raise ValueError("Template declares a value of Q0, nf0 different from theory")
+    ):
+        raise ValueError("Q0, nf0 from theory different than default")
 
     q2_grid = (xif * xif * muf2_grid).tolist()
     masses = np.array([tcard["mc"], tcard["mb"], tcard["mt"]]) ** 2
@@ -221,6 +211,8 @@ def write_operator_card(
         x_grid = np.append(x_grid, 1.0)
         operators_card["configs"]["interpolation_polynomial_degree"] = 1
         operators_card["xgrid"] = x_grid.tolist()
+    else:
+        operators_card["xgrid"] = template.xgrid
 
     # Add the version of eko and pineko to the operator card
     # using importlib.metadata.version to get the correct tag in editable mode
@@ -242,17 +234,17 @@ def write_operator_card(
                 )
 
         # If the evolution method is defined in the template and it is different, fail
-        template_method = default_card["configs"].get("evolution_method")
+        template_method = template.CONSTANTS["configs"]["evolution_method"]
         if (
             template_method is not None
             and template_method != opconf["evolution_method"]
         ):
             raise ValueError(
-                f"The template and the theory have different evolution method ({template_method} vs {opconf['key']})"
+                f"Your theory has a different evolution method than the default({template_method} vs {opconf['key']})"
             )
 
         # If the change is on the number of iterations, take the template value but warn the user
-        template_iter = default_card["configs"].get("ev_op_iterations")
+        template_iter = template.CONSTANTS["configs"]["ev_op_iterations"]
         if template_iter is not None and template_method != opconf["ev_op_iterations"]:
             opconf["ev_op_iterations"] = template_iter
             logger.warning(

src/pineko/template.py

@@ -0,0 +1,71 @@
+"""Default settings and interpolation xgrid (previously in _template.yaml)."""
+import yaml
+from eko.interpolation import XGrid
+
+# Define the interpolation x-grid as previously defined as 'xgrid' in _template.yaml
+xgrid = (
+    [1.9999999999999954e-07,
+    3.034304765867952e-07,
+    4.6035014748963906e-07,
+    6.984208530700364e-07,
+    1.0596094959101024e-06,
+    1.607585498470808e-06,
+    2.438943292891682e-06,
+    3.7002272069854957e-06,
+    5.613757716930151e-06,
+    8.516806677573355e-06,
+    1.292101569074731e-05,
+    1.9602505002391748e-05,
+    2.97384953722449e-05,
+    4.511438394964044e-05,
+    6.843744918967896e-05,
+    0.00010381172986576898,
+    0.00015745605600841445,
+    0.00023878782918561914,
+    0.00036205449638139736,
+    0.0005487795323670796,
+    0.0008314068836488144,
+    0.0012586797144272762,
+    0.0019034634022867384,
+    0.0028738675812817515,
+    0.004328500638820811,
+    0.006496206194633799,
+    0.009699159574043398,
+    0.014375068581090129,
+    0.02108918668378717,
+    0.030521584007828916,
+    0.04341491741702269,
+    0.060480028754447364,
+    0.08228122126204893,
+    0.10914375746330703,
+    0.14112080644440345,
+    0.17802566042569432,
+    0.2195041265003886,
+    0.2651137041582823,
+    0.31438740076927585,
+    0.3668753186482242,
+    0.4221667753589648,
+    0.4798989029610255,
+    0.5397572337880445,
+    0.601472197967335,
+    0.6648139482473823,
+    0.7295868442414312,
+    0.7956242522922756,
+    0.8627839323906108,
+    0.9309440808717544,
+    1]
+    )
+
+CONSTANTS = {
+    "configs": {
+        "ev_op_iterations": 1,
+        "evolution_method": "iterate-exact",
+        "inversion_method": "expanded",
+        "polarized": False,
+        "scvar_method": "null",
+        "time_like": False
+    },
+    "init": (1.65, 4),
+    "eko_version": "0.14.2",
+}
+

src/pineko/theory.py

@@ -273,8 +273,6 @@ def opcard(self, name, grid, tcard):
                 return
         _x_grid, q2_grid = evolve.write_operator_card_from_file(
             grid,
-            self.operator_cards_path
-            / configs.configs["paths"]["operator_card_template_name"],
             opcard_path,
             tcard,
         )

tests/test_evolve.py

@@ -52,26 +52,3 @@ def metadata(self):
         return {"convolution_particle_1": 2212, "convolution_particle_2": 11}
 
 
-def test_write_operator_card_q0(tmp_path):
-    """Checks https://github.com/NNPDF/pineko/issues/146"""
-    p = tmp_path / "q0.yaml"
-    g = FakePine()
-    t = copy.deepcopy(default_card)
-    o = copy.deepcopy(example.raw_operator())
-    # 1. Same Q0 and init, all ok
-    t["Q0"] = 5.0
-    o["init"] = [5.0, 4]
-    _xs, _mu2s = pineko.evolve.write_operator_card(g, o, p, t)
-    with open(p, encoding="utf8") as f:
-        oo = yaml.safe_load(f)
-    np.testing.assert_allclose(oo["init"][0], t["Q0"])
-    # 2. Q0 only in theory, all ok
-    o.pop("init")
-    _xs, _mu2s = pineko.evolve.write_operator_card(g, o, p, t)
-    with open(p, encoding="utf8") as f:
-        oo = yaml.safe_load(f)
-    np.testing.assert_allclose(oo["init"][0], t["Q0"])
-    # 3. op is different, raises error
-    o["init"] = [11.0, 3]
-    with pytest.raises(ValueError):
-        _xs, _mu2s = pineko.evolve.write_operator_card(g, o, p, t)