diff --git a/.github/workflows/bench.yml b/.github/workflows/bench.yml index 25caf834..1e675da9 100644 --- a/.github/workflows/bench.yml +++ b/.github/workflows/bench.yml @@ -58,4 +58,4 @@ jobs: files: ./coverage.xml flags: bench name: codecov-umbrella - fail_ci_if_error: true + fail_ci_if_error: false diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 11e9b2c0..d89050d1 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -34,7 +34,7 @@ repos: - id: isort args: ["--profile", "black"] - repo: https://github.com/asottile/pyupgrade - rev: v3.15.2 + rev: v3.16.0 hooks: - id: pyupgrade - repo: https://github.com/pycqa/pydocstyle diff --git a/docs/source/overview/prerequisites.rst b/docs/source/overview/prerequisites.rst index 1718f41b..05802e1c 100644 --- a/docs/source/overview/prerequisites.rst +++ b/docs/source/overview/prerequisites.rst @@ -18,28 +18,45 @@ This is a standard example: [paths] # inputs grids = "data/grids" - theory_cards = "data/theory_cards" operator_card_template_name = "_template.yaml" # outputs operator_cards = "data/operator_cards" ekos = "data/ekos" fktables = "data/fktables" + # The following two keys are only necessary when nnpdf=false + #theory_cards = "data/theory_cards" + #ymldb = "data/yamldb" + [paths.logs] eko = "logs/eko" fk = "logs/fk" -All the relevant inputs are described below. The command ``pineko scaffold new`` will generate all necessary folders. +All the relevant inputs are described below. The command ``pineko scaffold new`` generates all necessary folders. + + +Theory runcards and dataset definition +-------------------------------------- + +You need to provide the necessary theory runcards and the mapping between datasets and FK tables +(as one dataset may consist several FK tables). +For more details about theory runcards you can look at https://docs.nnpdf.science/theory/theoryparamsdefinitions.html + +Both configuration can be either provided by the NNPDF framework or in a manual setup. nnpdf ------ -The key ``nnpdf`` tells ``pineko`` it should use the data files from NNPDF to map datasets to FK Tables. +""""" +The key ``nnpdf`` tells ``pineko`` it should use the data files from NNPDF to map datasets to FK Tables +and to define the theory parameters. If this key is given, a valid installation of ``nnpdf`` needs to be available as well. -i.e, ``pineko`` should be installed with the ``nnpdf`` extra (``pip install pineko[nnpdf]``). +i.e., ``pineko`` should be installed with the ``nnpdf`` extra (``pip install pineko[nnpdf]``). + +Manual configuration +"""""""""""""""""""" -Alternatively, it is possible not to set this key (or set it to false) and instead -provide a path with ``yaml`` files containing such dataset-FK mapping. +Alternatively, it is possible to provide a path *paths.theory_cards* with ``yaml`` files containing the +theory cards, and a path *paths.ymldb* with ``yaml`` files containing the dataset-FK mapping. If a custom database of mappings is to be used, the path to the folder containing this files needs to be explicitly provided: @@ -47,28 +64,16 @@ this files needs to be explicitly provided: [paths] ymldb = "data/yamldb" + theory_cards = "data/theory_cards" -These `yaml` files (which should be named `.yaml`) -define a mapping from datasets to FK tables. -An actual (rather simple) example is the following: +The mapping from datasets to FK tables is provided by `yaml` files (which should be named `.yaml`) +and a simple example is the following: :: - conversion_factor: 1.0 operands: - - HERA_NC_318GEV_EP_SIGMARED - operation: 'null' - target_dataset: HERACOMBNCEP920 - -In ``operands`` all the necessary FK tables for the ``target_dataset`` are listed. In this case ``operation`` is -``NULL`` which means that the FK tables will just be concatenated but other kinds of operations -can be used (for instance ``ratio``). -Theory Runcards ---------------- - -You need to provide the necessary theory runcards named with their respective theory ID inside the *paths.theory_cards* folder [1]_. -For more details about theory runcards you can look at https://eko.readthedocs.io/en/latest/code/IO.html under **Theory Runcards**. Default Operator Card --------------------- @@ -121,7 +126,7 @@ generated by *pineko* itself starting from this default template. Grids ----- -*pineko* does **NOT** compute grids, which are instead expected input to *pineko*. +*pineko* does **NOT** compute grids, which are instead expected as input to *pineko*. There are typically two ways to obtain grids: 1. computing them from scratch with @@ -132,10 +137,4 @@ There are typically two ways to obtain grids: pineko theory inherit-grids SOURCE_THEORY_ID TARGET_THEORY_ID DATASET1 DATASET2 ... The relation between the source theory and the target theory is non-trivial - (e.g. they may differ by scale variations, different DIS settings, etc) - - -Notes ------ - -.. [1] this is to be replaced by a binding to the NNPDF theory objects + (e.g. they may differ by scale variations, different DIS settings, etc.) diff --git a/docs/source/overview/running.rst b/docs/source/overview/running.rst index 0251d0e8..8553cc1e 100644 --- a/docs/source/overview/running.rst +++ b/docs/source/overview/running.rst @@ -95,3 +95,37 @@ With the command ``pineko compare`` it is possible to compare the predictions as again eventually specifying the values of *renormalization* and *factorization* scales with the appropriate options. + +Using pineko with NNPDF +""""""""""""""""""""""" + +It is possible to use ``pineko`` without providing an explicit mapping between data and grids +(i.e., without a ``yamldb`` database) or theory cards, by using the data declared in the NNPDF +repository (which includes a data-theory mapping). + +In order to do this you need to install ``pineko`` with the ``nnpdf`` extra, which installs +the latest version from the ``nnpdf`` repository:: + + pip install pineko[nnpdf] + +In order to enable ``pineko`` to read the data from ``nnpdf`` it is necessary to set up +the ``general::nnpdf`` key in the configuration file. +Note that if you do that, both ``theory_cards`` and ``ymldb`` keys become unnecessary, +like in the example below. + + +.. code-block:: yaml + + [general] + nnpdf = true + + [paths] + grids = "data/grids" + operator_card_template_name = "../_template.yaml" + operator_cards = "data/operator_cards" + ekos = "data/ekos" + fktables = "data/fktables" + + [paths.logs] + eko = "logs/eko" + fk = "logs/fk" diff --git a/poetry.lock b/poetry.lock index a95de5d4..a1cb6777 100644 --- a/poetry.lock +++ b/poetry.lock @@ -1,4 +1,4 @@ -# This file is automatically @generated by Poetry 1.5.1 and should not be changed by hand. +# This file is automatically @generated by Poetry 1.8.2 and should not be changed by hand. 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a/src/pineko/configs.py b/src/pineko/configs.py index 90eec3a4..d92572b0 100644 --- a/src/pineko/configs.py +++ b/src/pineko/configs.py @@ -12,11 +12,12 @@ configs = {} "Holds loaded configurations" +THEORY_PATH_KEY = "theory_cards" NEEDED_KEYS = [ "operator_cards", "grids", "operator_card_template_name", - "theory_cards", + THEORY_PATH_KEY, "fktables", "ekos", ] @@ -65,11 +66,17 @@ def enhance_paths(configs_): if generic_options.get("nnpdf", False): # Fail as soon as possible try: - import validphys + import nnpdf_data except ModuleNotFoundError: raise ModuleNotFoundError( "Cannot use `nnpdf=True` without a valid installation of NNPDF" ) + # If ``nnpdf_data`` is available, then override also the theory path + # UNLESS the debug-option ``nnpdf_theory`` is set explicitly to false! + if generic_options.get("nnpdf_theory", True): + from nnpdf_data import theory_cards + + configs_["paths"][THEORY_PATH_KEY] = theory_cards else: required_keys.append("ymldb") diff --git a/src/pineko/evolve.py b/src/pineko/evolve.py index f5e96ac1..9eaa388d 100644 --- a/src/pineko/evolve.py +++ b/src/pineko/evolve.py @@ -153,8 +153,12 @@ def write_operator_card(pineappl_grid, default_card, card_path, tcard): xif = 1.0 if sv_method is not None else tcard["XIF"] # update scale variation method operators_card["configs"]["scvar_method"] = sv_method - # update initial scale mu0 + + # Make sure that we are using the theory Q0 and fail if the template has a different one operators_card["mu0"] = tcard["Q0"] + if default_card.get("mu0") is not None and default_card["mu0"] != tcard["Q0"]: + raise ValueError("Template declares a value of Q0 different from theory") + q2_grid = (xif * xif * muf2_grid).tolist() masses = np.array([tcard["mc"], tcard["mb"], tcard["mt"]]) ** 2 thresholds_ratios = np.array([tcard["kcThr"], tcard["kbThr"], tcard["ktThr"]]) ** 2 @@ -191,6 +195,39 @@ def write_operator_card(pineappl_grid, default_card, card_path, tcard): if "timelike" in kv: operators_card["configs"]["timelike"] = kv["timelike"] == "True" + # Choose the evolution method according to the theory if the key is included + if "ModEv" in tcard: + opconf = operators_card["configs"] + if tcard["ModEv"] == "TRN": + opconf["evolution_method"] = "truncated" + opconf["ev_op_iterations"] = 1 + elif tcard["ModEv"] == "EXA": + opconf["evolution_method"] = "iterate-exact" + if "IterEv" in tcard: + opconf["ev_op_iterations"] = tcard["IterEv"] + elif "ev_op_iterations" not in default_card["configs"]: + raise ValueError( + "EXA used but IterEv not found in the theory card and not ev_op_iterations set in the template" + ) + + # If the evolution method is defined in the template and it is different, fail + template_method = default_card["configs"].get("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']})" + ) + + # 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") + if template_iter is not None and template_method != opconf["ev_op_iterations"]: + opconf["ev_op_iterations"] = template_iter + logger.warning( + f"The number of iteration in the theory and template is different, using template value ({template_iter})" + ) + # Some safety checks if ( operators_card["configs"]["evolution_method"] == "truncated" diff --git a/src/pineko/theory.py b/src/pineko/theory.py index 2b049199..1ad844bd 100644 --- a/src/pineko/theory.py +++ b/src/pineko/theory.py @@ -337,8 +337,11 @@ def eko(self, name, grid, tcard): # from the PTO needed for the PDF evolution (and so by EKO). Here we # ensure that the PTO used in the EKO calculation reflects the real # perturbative order of the prescription. - if "PTOEKO" in tcard: + if tcard.get("PTOEKO") is not None: tcard["PTO"] = tcard["PTOEKO"] + # Deprecated keys still needed by eko below. TODO: remove them asap. + tcard["Qedref"] = tcard["Qref"] + tcard["MaxNfAs"] = tcard["MaxNfPdf"] # The operator card has been already generated in the correct format # The theory card needs to be converted to a format that eko can use legacy_class = eko.io.runcards.Legacy(tcard, ocard) @@ -393,7 +396,7 @@ def fk(self, name, grid_path, tcard, pdf): # PTODIS, thus using PTO instead of PTODIS to establish the perturbative # order would result in the PTODIS terms that correspond to orders # beyond PTO to be neglected - if "PTODIS" in tcard and "FONLL" in tcard["FNS"]: + if "FONLL" in tcard["FNS"] and tcard.get("PTODIS") is not None: tcard["PTO"] = tcard["PTODIS"] # check if grid contains SV if theory is requesting them (in particular diff --git a/src/pineko/theory_card.py b/src/pineko/theory_card.py index 931a29fc..88be852f 100644 --- a/src/pineko/theory_card.py +++ b/src/pineko/theory_card.py @@ -6,6 +6,7 @@ import yaml from . import configs +from .utils import load_nnpdf_theory def path(theory_id: int) -> pathlib.Path: @@ -22,7 +23,7 @@ def path(theory_id: int) -> pathlib.Path: theory card path """ - return configs.configs["paths"]["theory_cards"] / f"{theory_id}.yaml" + return configs.configs["paths"][configs.THEORY_PATH_KEY] / f"{theory_id}.yaml" def load(theory_id: int) -> Dict[str, Any]: @@ -39,6 +40,10 @@ def load(theory_id: int) -> Dict[str, Any]: theory card """ + nnpdf_theory = load_nnpdf_theory(theory_id, configs.configs) + if nnpdf_theory is not None: + return nnpdf_theory + with open(path(theory_id), encoding="utf-8") as f: theory_card = yaml.safe_load(f) return theory_card diff --git a/src/pineko/utils.py b/src/pineko/utils.py index f40f2919..66076ee7 100644 --- a/src/pineko/utils.py +++ b/src/pineko/utils.py @@ -3,7 +3,14 @@ Common tools typically used by several pineko functions. """ -from .configs import GENERIC_OPTIONS +from .configs import GENERIC_OPTIONS, THEORY_PATH_KEY + + +def _nnpdf_enabled(configs): + """Check whether NNPDF is enabled.""" + if configs is None: + return True + return configs.get(GENERIC_OPTIONS, {}).get("nnpdf", False) def read_grids_from_nnpdf(dataset_name, configs=None): @@ -18,9 +25,8 @@ def read_grids_from_nnpdf(dataset_name, configs=None): dictionary of configuration options if None it it assumed that the NNPDF version is required """ - if configs is not None: - if not configs.get(GENERIC_OPTIONS, {}).get("nnpdf", False): - return None + if not _nnpdf_enabled(configs): + return None # Import NNPDF only if we really want it! from nnpdf_data import legacy_to_new_map @@ -33,3 +39,23 @@ def read_grids_from_nnpdf(dataset_name, configs=None): fks = cd.metadata.theory.FK_tables # Return it flat return [f"{i}.{EXT}" for operand in fks for i in operand] + + +def load_nnpdf_theory(theory_id, configs): + """Load a theory using the NNPDF data utilities. + + If NNPDF is not available, returns None. + + Parameters + ---------- + theory_id: int + configs: dict + dictionary of configuration options + """ + if not _nnpdf_enabled(configs): + return None + + from nnpdf_data.theorydbutils import fetch_theory + + theory_path = configs["paths"][THEORY_PATH_KEY] + return fetch_theory(theory_path, theory_id) diff --git a/tests/test_evolve.py b/tests/test_evolve.py index 425f82ac..f529b80b 100644 --- a/tests/test_evolve.py +++ b/tests/test_evolve.py @@ -50,22 +50,22 @@ def test_write_operator_card_q0(tmp_path): """Checks https://github.com/NNPDF/pineko/issues/146""" p = tmp_path / "q0.yaml" g = FakePine() - # 1. defaults t = copy.deepcopy(default_card) o = copy.deepcopy(example.raw_operator()) + # 1. Same Q0 and mu0, all ok + t["Q0"] = 5.0 + o["mu0"] = 5.0 _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["mu0"], t["Q0"]) - # 2. overwriting from theory side - t["Q0"] = 10.0 + # 2. Q0 only in theory, all ok + o.pop("mu0") _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["mu0"], t["Q0"]) - # 3. op template is ignored + # 3. op is different, raises error o["mu0"] = 11.0 - _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["mu0"], t["Q0"]) + with pytest.raises(ValueError): + _xs, _mu2s = pineko.evolve.write_operator_card(g, o, p, t)