From 614bd431b15429fbfad0140d7d22896ca96d482a Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Fri, 15 Mar 2024 14:23:01 +0100 Subject: [PATCH 01/35] first understanding --- src/pineko/cli/kfactor.py | 25 ++++++- src/pineko/kfactor.py | 129 +++++++++++++++++++-------------- src/pineko/scale_variations.py | 8 +- 3 files changed, 102 insertions(+), 60 deletions(-) diff --git a/src/pineko/cli/kfactor.py b/src/pineko/cli/kfactor.py index 2283a78b..62727341 100644 --- a/src/pineko/cli/kfactor.py +++ b/src/pineko/cli/kfactor.py @@ -13,17 +13,34 @@ @click.argument("kfactor_folder", type=click.Path(exists=True)) @click.argument("yamldb_path", type=click.Path(exists=True)) @click.argument("target_folder", type=click.Path(exists=True)) -@click.argument("max_as", type=int) +@click.argument("order_to_update", type=int) @click.argument("order_exists", type=bool) def k_factor_inclusion( grids_folder, kfactor_folder, yamldb_path, target_folder, - max_as, + order_to_update, order_exists, ): - """Construct new grid with k_factor included.""" + """Construct new grid with k_factor included. + + parameters + ---------- + grids_folder: + path to grids folder + kfactor_folder: + path to kfactor folder. + yamldb_path: + path to yamldb file. + target_folder: + path to updated grids folder. + order_to_update: + alpha_s order to update. + order_exists: + True if the order is already present. + + """ grids_folder = pathlib.Path(grids_folder) kfactor_folder = pathlib.Path(kfactor_folder) yamldb_path = pathlib.Path(yamldb_path) @@ -32,7 +49,7 @@ def k_factor_inclusion( grids_folder, kfactor_folder, yamldb_path, - max_as, + order_to_update, target_folder=target_folder, order_exists=order_exists, ) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 214b8eef..5398b74e 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -13,6 +13,7 @@ DEFAULT_PDF_SET = "NNPDF40_nnlo_as_01180" +# TODO: this can be dropped, unused def factgrid(subgrid): """Return the array of the factorization scales squared from a subgrid.""" return np.array([mu2.fac for mu2 in subgrid.mu2_grid()]) @@ -52,7 +53,6 @@ def read_kfactor(kfactor_path): def construct_scales_array( mu2_ren_grid, - m_value, order, new_order, central_k_factor, @@ -65,7 +65,6 @@ def construct_scales_array( for mu2 in mu2_ren_grid: scales_array.append( compute_scale_factor( - m_value, order, new_order, mu2, @@ -79,7 +78,6 @@ def construct_scales_array( def compute_scale_factor( - m, nec_order, to_construct_order, Q2, @@ -92,8 +90,6 @@ def compute_scale_factor( Parameters ---------- - m : int - first non zero perturbative order nec_order : tuple(int) tuple of the order that has to be rescaled to get the final order to_contruct_order : tuple(int) @@ -112,11 +108,12 @@ def compute_scale_factor( float full contribution factor """ - max_as = to_construct_order[0] - m + max_as = to_construct_order[0] alpha_val = alphas.alphasQ2(Q2) - alpha_term = 1.0 / pow(alpha_val, max_as - (nec_order[0] - m)) + alpha_term = 1.0 / pow(alpha_val, max_as - (nec_order[0])) k_term = central_k_factor[bin_index] - 1.0 - if order_exists and (max_as - (nec_order[0] - m)) == 0: + # TODO: why do we need a double condition here ??? + if order_exists and (max_as - (nec_order[0])) == 0: k_term = central_k_factor[bin_index] return k_term * alpha_term @@ -145,7 +142,7 @@ def scale_subgrid(extracted_subgrid, scales_array): return scaled_subgrid -def compute_orders_map(m, max_as, min_al, order_exists): +def compute_orders_map(m, max_as, min_al, order_to_update): """Compute a dictionary with all the necessary orders to compute the requested order. Parameters @@ -156,23 +153,24 @@ def compute_orders_map(m, max_as, min_al, order_exists): max alpha_s order min_al : int al order of leading order + order_to_update: + alphas order to update Returns ------- dict(tuple(int)) description of all the needed orders """ - add = 0 - if order_exists: - add = 1 orders = {} - orders[(m + max_as, min_al, 0, 0)] = [ - (m + de, min_al, 0, 0) for de in range(max_as + add) + # TODO: can we simply append or replace the needed + # order instead of this ? + orders[(order_to_update, min_al, 0, 0)] = [ + (m + de, min_al, 0, 0) for de in range(max_as) ] return orders def create_singlegridonly( - grid, m_value, order, new_order, central_k_factor, alphas, order_exists + grid, order, new_order, central_k_factor, alphas, order_exists ): """Create a grid containing only the contribution given by new_order.""" new_grid = scale_variations.initialize_new_grid(grid, new_order) @@ -184,7 +182,6 @@ def create_singlegridonly( extracted_subgrid = grid.subgrid(order_index, bin_index, lumi_index) scales_array = construct_scales_array( rengrid(extracted_subgrid), - m_value, order, new_order, central_k_factor, @@ -211,17 +208,22 @@ def create_singlegridonly( def create_grids( gridpath, - max_as, - first_non_zero_as_order, + as_order, min_al, + order_to_update, centrals_k_factor, alphas, order_exists, ): """Create all the necessary grids for a certain starting grid.""" grid = pineappl.grid.Grid.read(gridpath) - m_value = first_non_zero_as_order - nec_orders = compute_orders_map(m_value, max_as, min_al, order_exists) + + # first and last alpha_s orders + m_value, max_as = as_order + + # if the order is not yet there add it + max_as_required = max_as if order_exists else max_as + 1 + nec_orders = compute_orders_map(m_value, max_as_required, min_al, order_to_update) grid_list = {} for to_construct_order in nec_orders: list_grid_order = [] @@ -229,7 +231,6 @@ def create_grids( list_grid_order.append( create_singlegridonly( grid, - m_value, nec_order, to_construct_order, centrals_k_factor, @@ -238,7 +239,6 @@ def create_grids( ) ) grid_list[to_construct_order] = list_grid_order - return grid_list, nec_orders @@ -257,8 +257,8 @@ def is_already_in(to_check, list_orders): def construct_and_merge_grids( grid_path, - max_as, - first_nonzero_order, + as_order, + order_to_update, min_al, centrals_kfactor, alphas, @@ -269,9 +269,9 @@ def construct_and_merge_grids( # Creating all the necessary grids grid_list, nec_orders = create_grids( grid_path, - max_as, - first_nonzero_order[0], + as_order, min_al, + order_to_update, centrals_kfactor, alphas, order_exists, @@ -293,31 +293,49 @@ def do_it( alphas, grid_path, grid, - max_as, - max_as_test, + order_to_update, target_folder, order_exists, ): - """Apply the centrals_kfactor to the grid if the order is not already there.""" - grid_orders = [orde.as_tuple() for orde in grid.orders()] - order_mask = pineappl.grid.Order.create_mask(grid.orders(), max_as, 0, True) - grid_orders_filtered = list(np.array(grid_orders)[order_mask]) - grid_orders_filtered.sort(key=scale_variations.qcd) - first_nonzero_order = grid_orders_filtered[0] - min_al = first_nonzero_order[1] - is_in = is_already_in( - (first_nonzero_order[0] + max_as_test, min_al, 0, 0), grid_orders_filtered - ) + """Apply the centrals_kfactor to the grid. + + Parameters + ---------- + centrals_kfactor : np.ndarray + kfactors to apply + alphas : lhapdf.AlphaS + alphas + grid_path : pathlib.Path() + path to grid + order_to_update : int + alpha_s order to update + target_folder: pathlib.Path + path where store the new grid + order_exists: bool + True if the order to update is already present + """ + grid_orders = [order.as_tuple() for order in grid.orders()] + min_al = grid_orders[0][1] + + # TODO: this mask should not be necessary. + # order_mask = pineappl.grid.Order.create_mask(grid.orders(), max_as, 0, True) + # grid_orders_filtered = list(np.array(grid_orders)[order_mask]) + # grid_orders_filtered.sort(key=scale_variations.qcd) + # first_nonzero_order = grid_orders_filtered[0] + + # check if the order is already there + is_in = is_already_in((order_to_update, min_al, 0, 0), grid_orders) if is_in and not order_exists: rich.print("[green] Success: Requested order already in the grid.") return if not is_in and order_exists: rich.print("[red] Abort: order exists is True but order not in the grid.") return + construct_and_merge_grids( grid_path, - max_as_test, - first_nonzero_order, + (grid_orders[0][0], grid_orders[-1][0]), + order_to_update, min_al, centrals_kfactor, alphas, @@ -327,14 +345,14 @@ def do_it( def filter_k_factors(pigrid, centrals_kfactor): - """Filter the centrals k-factors according to their lenght compared to the number of bins of the grid.""" + """Filter the centrals k-factors according to their length compared to the number of bins of the grid.""" centrals_kfactor_filtered = np.array([]) if pigrid.bins() == len(centrals_kfactor): - rich.print("[orange] The number of bins match the lenght of the k-factor.") + rich.print("[orange] The number of bins match the length of the k-factor.") centrals_kfactor_filtered = centrals_kfactor elif pigrid.bins() < len(centrals_kfactor): rich.print( - "[yellow] The number of bins is less than the lenght of the k-factor." + "[yellow] The number of bins is less than the length of the k-factor." ) if not all(elem == centrals_kfactor[0] for elem in centrals_kfactor): # This case is actually wrong. @@ -342,15 +360,15 @@ def filter_k_factors(pigrid, centrals_kfactor): centrals_kfactor_filtered = centrals_kfactor else: rich.print( - "[yellow] The number of bins is more than the lenght of the k-factor." + "[yellow] The number of bins is more than the length of the k-factor." ) # This is the last case in which grid.bins() > len(centrals_kfactor) - # Note that sometimes there are more bins in the grid than in the cfactor file - - # this is not a problem because in those cases either all cfactor values are the + # Note that sometimes there are more bins in the grid than in the kfactor file - + # this is not a problem because in those cases either all kfactor values are the # same (thus there is no doubt about whether we have the correct one) or the - # non-exisiting cfactors would be multiplied by bins corresponding to all '0' in the + # non-exisiting kfactor would be multiplied by bins corresponding to all '0' in the # grid. # Let's check if we are in the first or second case if len(np.unique(centrals_kfactor)) == 1: @@ -370,7 +388,7 @@ def compute_k_factor_grid( grids_folder, kfactor_folder, yamldb_path, - max_as, + order_to_update, target_folder=None, order_exists=False, ): @@ -384,20 +402,24 @@ def compute_k_factor_grid( kfactors folder yamldb_path : pathlib.Path() path to the yaml file describing the dataset - max_as : int - max as order + order_to_update : int + alpha_s order to update target_folder: pathlib.Path - path where store the new grid (optional) + path where store the new grid + order_exists: bool + True if the order to update is already present """ import lhapdf # pylint: disable=import-error,import-outside-toplevel + # TODO: please let's drop this additional bit of chaos !!!! # With respect to the usual convention here max_as is max_as-1 - max_as_test = max_as - 1 + # max_as_test = max_as - 1 # Extracting info from yaml file with open(yamldb_path, encoding="utf-8") as f: yamldict = yaml.safe_load(f) for grid_list in yamldict["operands"]: for grid in grid_list: + # TODO: kfactor type should be passed as argument cfac_path = kfactor_folder / f"CF_QCD_{grid}.dat" if "ATLASDY2D8TEV" in grid: cfac_path = kfactor_folder / f"CF_QCDEWK_{grid}.dat" @@ -411,8 +433,7 @@ def compute_k_factor_grid( alphas, grid_path, pigrid, - max_as, - max_as_test, + order_to_update, target_folder, order_exists, ) diff --git a/src/pineko/scale_variations.py b/src/pineko/scale_variations.py index 75c65cc4..dbdbbcf3 100644 --- a/src/pineko/scale_variations.py +++ b/src/pineko/scale_variations.py @@ -194,7 +194,7 @@ def merge_grids( target_path = target_path / gridpath.name if order_exists: grid = construct_and_dump_order_exists_grid( - grid, list(nec_orders.keys())[0] if nec_orders is not None else [] + grid, list(nec_orders)[0] if nec_orders is not None else [] ) for grid_path in grid_list_path: grid.merge_from_file(grid_path) @@ -240,7 +240,11 @@ def construct_and_dump_order_exists_grid(ori_grid, to_construct_order): norma = ori_grid.bin_normalizations() remap_obj = pineappl.bin.BinRemapper(norma, limits) new_grid.set_remapper(remap_obj) - new_grid.set_key_value("initial_state_2", ori_grid.key_values()["initial_state_2"]) + + # propagate metadata + for k, v in ori_grid.key_values().items(): + new_grid.set_key_value(k, v) + return new_grid From 664a798cc2fd12f5048542aaa46c95f9205be477 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Fri, 15 Mar 2024 15:42:16 +0100 Subject: [PATCH 02/35] init some refactoring --- src/pineko/check.py | 2 +- src/pineko/cli/kfactor.py | 29 +-- src/pineko/kfactor.py | 345 ++++++++++++++++++--------------- src/pineko/scale_variations.py | 13 +- 4 files changed, 212 insertions(+), 177 deletions(-) diff --git a/src/pineko/check.py b/src/pineko/check.py index 67f0add2..3aebfc39 100644 --- a/src/pineko/check.py +++ b/src/pineko/check.py @@ -88,7 +88,7 @@ def check_grid_and_eko_compatible(pineappl_grid, operators, xif, max_as, max_al) xif : float factorization scale variation max_as: int - max order of alpa_s + max order of alpha_s max_al: int max order of alpha diff --git a/src/pineko/cli/kfactor.py b/src/pineko/cli/kfactor.py index 62727341..1bebc58d 100644 --- a/src/pineko/cli/kfactor.py +++ b/src/pineko/cli/kfactor.py @@ -11,44 +11,27 @@ @command.command("kfactor") @click.argument("grids_folder", type=click.Path(exists=True)) @click.argument("kfactor_folder", type=click.Path(exists=True)) -@click.argument("yamldb_path", type=click.Path(exists=True)) +@click.argument("yamldb_file", type=click.Path(exists=True)) @click.argument("target_folder", type=click.Path(exists=True)) @click.argument("order_to_update", type=int) -@click.argument("order_exists", type=bool) +@click.option("--order_exists", is_flag=True, help="Owerwrite an existing order.") def k_factor_inclusion( grids_folder, kfactor_folder, - yamldb_path, + yamldb_file, target_folder, order_to_update, order_exists, ): - """Construct new grid with k_factor included. - - parameters - ---------- - grids_folder: - path to grids folder - kfactor_folder: - path to kfactor folder. - yamldb_path: - path to yamldb file. - target_folder: - path to updated grids folder. - order_to_update: - alpha_s order to update. - order_exists: - True if the order is already present. - - """ + """Construct new grid with k_factor included.""" grids_folder = pathlib.Path(grids_folder) kfactor_folder = pathlib.Path(kfactor_folder) - yamldb_path = pathlib.Path(yamldb_path) + yamldb_file = pathlib.Path(yamldb_file) target_folder = pathlib.Path(target_folder) kfactor.compute_k_factor_grid( grids_folder, kfactor_folder, - yamldb_path, + yamldb_file, order_to_update, target_folder=target_folder, order_exists=order_exists, diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 5398b74e..2ef06610 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -13,10 +13,9 @@ DEFAULT_PDF_SET = "NNPDF40_nnlo_as_01180" -# TODO: this can be dropped, unused -def factgrid(subgrid): - """Return the array of the factorization scales squared from a subgrid.""" - return np.array([mu2.fac for mu2 in subgrid.mu2_grid()]) +# def factgrid(subgrid): +# """Return the array of the factorization scales squared from a subgrid.""" +# return np.array([mu2.fac for mu2 in subgrid.mu2_grid()]) def rengrid(subgrid): @@ -142,48 +141,173 @@ def scale_subgrid(extracted_subgrid, scales_array): return scaled_subgrid -def compute_orders_map(m, max_as, min_al, order_to_update): - """Compute a dictionary with all the necessary orders to compute the requested order. +# def compute_orders_map(m, max_as, min_al, order_to_update): +# """Compute a dictionary with all the necessary orders to compute the requested order. + +# Parameters +# ---------- +# m : int +# first non zero perturbative order of the grid +# max_as : int +# max alpha_s order +# min_al : int +# al order of leading order +# order_to_update: +# alphas order to update +# Returns +# ------- +# dict(tuple(int)) +# description of all the needed orders +# """ +# orders = {} +# # TODO: can we simply append or replace the needed +# # order instead of this ? +# orders[(order_to_update, min_al, 0, 0)] = [ +# (m + de, min_al, 0, 0) for de in range(max_as) +# ] +# return orders + + +# def create_singlegridonly( +# grid, order, new_order, central_k_factor, alphas, order_exists +# ): +# """Create a grid containing only the contribution given by new_order.""" +# new_grid = scale_variations.initialize_new_grid(grid, new_order) +# # extract the relevant order to rescale from the grid for each lumi and bin +# grid_orders = [order.as_tuple() for order in grid.orders()] +# order_index = grid_orders.index(order) +# for lumi_index in range(len(new_grid.lumi())): +# for bin_index in range(grid.bins()): +# extracted_subgrid = grid.subgrid(order_index, bin_index, lumi_index) +# scales_array = construct_scales_array( +# rengrid(extracted_subgrid), +# order, +# new_order, +# central_k_factor, +# bin_index, +# alphas, +# order_exists, +# ) +# scaled_subgrid = scale_subgrid(extracted_subgrid, scales_array) +# # Set this subgrid inside the new grid +# new_grid.set_subgrid(0, bin_index, lumi_index, scaled_subgrid) +# # Fixing bin_limits and normalizations +# bin_dimension = grid.raw.bin_dimensions() +# limits = [] +# for num_bin in range(grid.raw.bins()): +# for dim in range(bin_dimension): +# limits.append( +# (grid.raw.bin_left(dim)[num_bin], grid.raw.bin_right(dim)[num_bin]) +# ) +# norma = grid.raw.bin_normalizations() +# remap_obj = pineappl.bin.BinRemapper(norma, limits) +# new_grid.set_remapper(remap_obj) +# return new_grid + + +# def create_grids( +# gridpath, +# as_order, +# min_al, +# order_to_update, +# centrals_k_factor, +# alphas, +# order_exists, +# ): +# """Create all the necessary grids for a certain starting grid.""" +# grid = pineappl.grid.Grid.read(gridpath) + +# # first and last alpha_s orders +# m_value, max_as = as_order + +# # if the order is not yet there add it +# max_as_required = max_as if order_exists else max_as + 1 +# nec_orders = compute_orders_map(m_value, max_as_required, min_al, order_to_update) +# grid_list = {} +# for to_construct_order in nec_orders: +# list_grid_order = [] +# for nec_order in nec_orders[to_construct_order]: +# list_grid_order.append( +# create_singlegridonly( +# grid, +# nec_order, +# to_construct_order, +# centrals_k_factor, +# alphas, +# order_exists, +# ) +# ) +# grid_list[to_construct_order] = list_grid_order +# return grid_list, nec_orders - Parameters - ---------- - m : int - first non zero perturbative order of the grid - max_as : int - max alpha_s order - min_al : int - al order of leading order - order_to_update: - alphas order to update - Returns - ------- - dict(tuple(int)) - description of all the needed orders - """ - orders = {} - # TODO: can we simply append or replace the needed - # order instead of this ? - orders[(order_to_update, min_al, 0, 0)] = [ - (m + de, min_al, 0, 0) for de in range(max_as) - ] - return orders + +def is_already_in(to_check, list_orders): + """Check if the requested order is already in the grid.""" + for order in list_orders: + if ( + order[-2] == 0 + and order[-1] == 0 + and (order[0] == to_check[0]) + and (order[1] == to_check[1]) + ): + return True + return False -def create_singlegridonly( - grid, order, new_order, central_k_factor, alphas, order_exists -): - """Create a grid containing only the contribution given by new_order.""" - new_grid = scale_variations.initialize_new_grid(grid, new_order) +# def construct_and_merge_grids( +# grid_path, +# as_order, +# order_to_update, +# min_al, +# centrals_kfactor, +# alphas, +# target_folder, +# order_exists, +# ): +# """Create, write and merge all the grids.""" +# # Creating all the necessary grids +# grid_list, nec_orders = create_grids( +# grid_path, +# as_order, +# min_al, +# order_to_update, +# centrals_kfactor, +# alphas, +# order_exists, +# ) +# # Writing the sv grids +# grids_paths = scale_variations.write_grids(gridpath=grid_path, grid_list=grid_list) +# # Merging all together +# scale_variations.merge_grids( +# gridpath=grid_path, +# grid_list_path=grids_paths, +# target_path=target_folder, +# nec_orders=nec_orders, +# order_exists=order_exists, +# ) + + +def construct_new_order(grid, order_to_update, central_k_factor, alphas, order_exists): + """Construct a scaled grid, with the given order.""" + # extract the relevant order to rescale from the grid for each lumi and bin grid_orders = [order.as_tuple() for order in grid.orders()] - order_index = grid_orders.index(order) + + # TODO: is it correct to update only the central scale? + order_to_update = (order_to_update, grid_orders[0][1], 0, 0) + new_grid = scale_variations.initialize_new_grid(grid, order_to_update) + + # if the order is the same rescale the original else rescale the last one + orignal_order = order_to_update if order_exists else grid_orders[-1] + orginal_order_index = grid_orders.index(orignal_order) + for lumi_index in range(len(new_grid.lumi())): for bin_index in range(grid.bins()): - extracted_subgrid = grid.subgrid(order_index, bin_index, lumi_index) + extracted_subgrid = grid.subgrid(orginal_order_index, bin_index, lumi_index) scales_array = construct_scales_array( rengrid(extracted_subgrid), - order, - new_order, + orignal_order, + order_to_update, central_k_factor, bin_index, alphas, @@ -206,110 +330,27 @@ def create_singlegridonly( return new_grid -def create_grids( - gridpath, - as_order, - min_al, - order_to_update, - centrals_k_factor, - alphas, - order_exists, -): - """Create all the necessary grids for a certain starting grid.""" - grid = pineappl.grid.Grid.read(gridpath) - - # first and last alpha_s orders - m_value, max_as = as_order - - # if the order is not yet there add it - max_as_required = max_as if order_exists else max_as + 1 - nec_orders = compute_orders_map(m_value, max_as_required, min_al, order_to_update) - grid_list = {} - for to_construct_order in nec_orders: - list_grid_order = [] - for nec_order in nec_orders[to_construct_order]: - list_grid_order.append( - create_singlegridonly( - grid, - nec_order, - to_construct_order, - centrals_k_factor, - alphas, - order_exists, - ) - ) - grid_list[to_construct_order] = list_grid_order - return grid_list, nec_orders - - -def is_already_in(to_check, list_orders): - """Check if the requested order is already in the grid.""" - for order in list_orders: - if ( - order[-2] == 0 - and order[-1] == 0 - and (order[0] == to_check[0]) - and (order[1] == to_check[1]) - ): - return True - return False - - -def construct_and_merge_grids( - grid_path, - as_order, - order_to_update, - min_al, - centrals_kfactor, - alphas, - target_folder, - order_exists, -): - """Create, write and merge all the grids.""" - # Creating all the necessary grids - grid_list, nec_orders = create_grids( - grid_path, - as_order, - min_al, - order_to_update, - centrals_kfactor, - alphas, - order_exists, - ) - # Writing the sv grids - grids_paths = scale_variations.write_grids(gridpath=grid_path, grid_list=grid_list) - # Merging all together - scale_variations.merge_grids( - gridpath=grid_path, - grid_list_path=grids_paths, - target_path=target_folder, - nec_orders=nec_orders, - order_exists=order_exists, - ) - - def do_it( - centrals_kfactor, + central_kfactor, alphas, - grid_path, grid, order_to_update, - target_folder, + target_grid_path, order_exists, ): """Apply the centrals_kfactor to the grid. Parameters ---------- - centrals_kfactor : np.ndarray + central_kfactor : np.ndarray kfactors to apply alphas : lhapdf.AlphaS alphas - grid_path : pathlib.Path() - path to grid + grid : pineappl.grid + loaded grid order_to_update : int alpha_s order to update - target_folder: pathlib.Path + target_grid_path: pathlib.Path path where store the new grid order_exists: bool True if the order to update is already present @@ -317,14 +358,9 @@ def do_it( grid_orders = [order.as_tuple() for order in grid.orders()] min_al = grid_orders[0][1] - # TODO: this mask should not be necessary. - # order_mask = pineappl.grid.Order.create_mask(grid.orders(), max_as, 0, True) - # grid_orders_filtered = list(np.array(grid_orders)[order_mask]) - # grid_orders_filtered.sort(key=scale_variations.qcd) - # first_nonzero_order = grid_orders_filtered[0] - # check if the order is already there is_in = is_already_in((order_to_update, min_al, 0, 0), grid_orders) + if is_in and not order_exists: rich.print("[green] Success: Requested order already in the grid.") return @@ -332,17 +368,20 @@ def do_it( rich.print("[red] Abort: order exists is True but order not in the grid.") return - construct_and_merge_grids( - grid_path, - (grid_orders[0][0], grid_orders[-1][0]), - order_to_update, - min_al, - centrals_kfactor, - alphas, - target_folder, - order_exists, + new_order_grid = construct_new_order( + grid, order_to_update, central_kfactor, alphas, is_in ) + new_grid = grid + + # TODO: is this really necessary?? pineappl doesn't complain if the order is still there. + if is_in: + new_grid = scale_variations.construct_and_dump_order_exists_grid( + grid, order_to_update + ) + new_grid.merge(new_order_grid) + new_grid.write_lz4(target_grid_path) + def filter_k_factors(pigrid, centrals_kfactor): """Filter the centrals k-factors according to their length compared to the number of bins of the grid.""" @@ -411,29 +450,31 @@ def compute_k_factor_grid( """ import lhapdf # pylint: disable=import-error,import-outside-toplevel - # TODO: please let's drop this additional bit of chaos !!!! - # With respect to the usual convention here max_as is max_as-1 - # max_as_test = max_as - 1 # Extracting info from yaml file with open(yamldb_path, encoding="utf-8") as f: yamldict = yaml.safe_load(f) + + # loop on operands for grid_list in yamldict["operands"]: + # loop on grids for grid in grid_list: # TODO: kfactor type should be passed as argument cfac_path = kfactor_folder / f"CF_QCD_{grid}.dat" if "ATLASDY2D8TEV" in grid: cfac_path = kfactor_folder / f"CF_QCDEWK_{grid}.dat" - centrals_kfactor, pdf_set = read_kfactor(cfac_path) + + grid_name = f"{grid}.pineappl.lz4" + current_grid = pineappl.grid.Grid.read(grids_folder / grid_name) + + central_kfactor, pdf_set = read_kfactor(cfac_path) + central_kfactor_filtered = filter_k_factors(current_grid, central_kfactor) alphas = lhapdf.mkAlphaS(pdf_set) - grid_path = grids_folder / (f"{grid}.pineappl.lz4") - pigrid = pineappl.grid.Grid.read(grid_path) - centrals_kfactor_filtered = filter_k_factors(pigrid, centrals_kfactor) + do_it( - centrals_kfactor_filtered, + central_kfactor_filtered, alphas, - grid_path, - pigrid, + current_grid, order_to_update, - target_folder, + target_folder / grid_name, order_exists, ) diff --git a/src/pineko/scale_variations.py b/src/pineko/scale_variations.py index dbdbbcf3..67d993b9 100644 --- a/src/pineko/scale_variations.py +++ b/src/pineko/scale_variations.py @@ -203,7 +203,18 @@ def merge_grids( def construct_and_dump_order_exists_grid(ori_grid, to_construct_order): - """Remove the order that has to be substituted from the grid.""" + """Remove the order that has to be substituted from the grid. + + Parameters + ---------- + ori_grid: + original grid + to_construct_order: + order to delete + """ + + # TODO: maybe we can make this function simpler ?? + bin_limits = [float(bin) for bin in range(ori_grid.bins() + 1)] lumi_grid = [pineappl.lumi.LumiEntry(mylum) for mylum in ori_grid.lumi()] subgrid_params = pineappl.subgrid.SubgridParams() From 830550769819e8cb5a0ff6e94655bb4a88bd602a Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Fri, 15 Mar 2024 15:59:02 +0100 Subject: [PATCH 03/35] make test working --- src/pineko/kfactor.py | 20 +++++++++++++++++--- tests/test_kfactor.py | 2 -- 2 files changed, 17 insertions(+), 5 deletions(-) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 2ef06610..4784f77e 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -288,7 +288,21 @@ def is_already_in(to_check, list_orders): def construct_new_order(grid, order_to_update, central_k_factor, alphas, order_exists): - """Construct a scaled grid, with the given order.""" + """Construct a scaled grid, with the given order. + + Parameters + ---------- + grid : pineappl.grid + loaded grid + order_to_update : int + alpha_s order to update + central_kfactor : np.ndarray + kfactors to apply + alphas : lhapdf.AlphaS + alphas + order_exists: bool + True if the order to update is already present + """ # extract the relevant order to rescale from the grid for each lumi and bin grid_orders = [order.as_tuple() for order in grid.orders()] @@ -361,6 +375,7 @@ def do_it( # check if the order is already there is_in = is_already_in((order_to_update, min_al, 0, 0), grid_orders) + # Prevent summing orders incoherently if is_in and not order_exists: rich.print("[green] Success: Requested order already in the grid.") return @@ -373,8 +388,7 @@ def do_it( ) new_grid = grid - - # TODO: is this really necessary?? pineappl doesn't complain if the order is still there. + # if the new order is there, clean the old one. if is_in: new_grid = scale_variations.construct_and_dump_order_exists_grid( grid, order_to_update diff --git a/tests/test_kfactor.py b/tests/test_kfactor.py index d8c602ef..ecd1fcd6 100644 --- a/tests/test_kfactor.py +++ b/tests/test_kfactor.py @@ -27,7 +27,6 @@ def test_compute_scale_factor(): bin_index = 1 np.testing.assert_allclose( kfactor.compute_scale_factor( - 0, [0, 0, 0, 0], [1, 0, 0, 0], 5.0**2, @@ -40,7 +39,6 @@ def test_compute_scale_factor(): ) np.testing.assert_allclose( kfactor.compute_scale_factor( - 0, [0, 0, 0, 0], [2, 0, 0, 0], 5.0**2, From 93131b14c48f4e8919c2ef4f20281aef82a6e9ee Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Fri, 15 Mar 2024 16:47:24 +0100 Subject: [PATCH 04/35] try to make it working again --- src/pineko/kfactor.py | 203 +++++++----------------------------------- tests/test_kfactor.py | 2 - 2 files changed, 33 insertions(+), 172 deletions(-) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 4784f77e..0816ae1c 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -13,11 +13,6 @@ DEFAULT_PDF_SET = "NNPDF40_nnlo_as_01180" -# def factgrid(subgrid): -# """Return the array of the factorization scales squared from a subgrid.""" -# return np.array([mu2.fac for mu2 in subgrid.mu2_grid()]) - - def rengrid(subgrid): """Return the array of the renormalization scales squared from a subgrid.""" return np.array([mu2.ren for mu2 in subgrid.mu2_grid()]) @@ -53,11 +48,10 @@ def read_kfactor(kfactor_path): def construct_scales_array( mu2_ren_grid, order, - new_order, + order_to_update, central_k_factor, bin_index, alphas, - order_exists, ): """Construct the array that will rescale the subgrid array taking into account the different renormalization scales.""" scales_array = [] @@ -65,25 +59,23 @@ def construct_scales_array( scales_array.append( compute_scale_factor( order, - new_order, + order_to_update, mu2, central_k_factor, bin_index, alphas, - order_exists, ) ) return scales_array def compute_scale_factor( - nec_order, - to_construct_order, - Q2, + order, + order_to_update, + mu2, central_k_factor, bin_index, alphas, - order_exists, ): """Compute the factor to be multiplied to the given nec_order. @@ -91,9 +83,9 @@ def compute_scale_factor( ---------- nec_order : tuple(int) tuple of the order that has to be rescaled to get the final order - to_contruct_order : tuple(int) - tuple of the scale varied order to be constructed - Q2: float + order_to_update : tuple(int) + order to update + mu2: float energy scale squared of the bin central_k_factor: list(float) list of the centrals k-factors @@ -107,13 +99,11 @@ def compute_scale_factor( float full contribution factor """ - max_as = to_construct_order[0] - alpha_val = alphas.alphasQ2(Q2) - alpha_term = 1.0 / pow(alpha_val, max_as - (nec_order[0])) + alpha_val = alphas.alphasQ2(mu2) + max_as = order_to_update[0] + as_order = order[0] + alpha_term = 1.0 / pow(alpha_val, max_as - as_order) k_term = central_k_factor[bin_index] - 1.0 - # TODO: why do we need a double condition here ??? - if order_exists and (max_as - (nec_order[0])) == 0: - k_term = central_k_factor[bin_index] return k_term * alpha_term @@ -141,106 +131,6 @@ def scale_subgrid(extracted_subgrid, scales_array): return scaled_subgrid -# def compute_orders_map(m, max_as, min_al, order_to_update): -# """Compute a dictionary with all the necessary orders to compute the requested order. - -# Parameters -# ---------- -# m : int -# first non zero perturbative order of the grid -# max_as : int -# max alpha_s order -# min_al : int -# al order of leading order -# order_to_update: -# alphas order to update -# Returns -# ------- -# dict(tuple(int)) -# description of all the needed orders -# """ -# orders = {} -# # TODO: can we simply append or replace the needed -# # order instead of this ? -# orders[(order_to_update, min_al, 0, 0)] = [ -# (m + de, min_al, 0, 0) for de in range(max_as) -# ] -# return orders - - -# def create_singlegridonly( -# grid, order, new_order, central_k_factor, alphas, order_exists -# ): -# """Create a grid containing only the contribution given by new_order.""" -# new_grid = scale_variations.initialize_new_grid(grid, new_order) -# # extract the relevant order to rescale from the grid for each lumi and bin -# grid_orders = [order.as_tuple() for order in grid.orders()] -# order_index = grid_orders.index(order) -# for lumi_index in range(len(new_grid.lumi())): -# for bin_index in range(grid.bins()): -# extracted_subgrid = grid.subgrid(order_index, bin_index, lumi_index) -# scales_array = construct_scales_array( -# rengrid(extracted_subgrid), -# order, -# new_order, -# central_k_factor, -# bin_index, -# alphas, -# order_exists, -# ) -# scaled_subgrid = scale_subgrid(extracted_subgrid, scales_array) -# # Set this subgrid inside the new grid -# new_grid.set_subgrid(0, bin_index, lumi_index, scaled_subgrid) -# # Fixing bin_limits and normalizations -# bin_dimension = grid.raw.bin_dimensions() -# limits = [] -# for num_bin in range(grid.raw.bins()): -# for dim in range(bin_dimension): -# limits.append( -# (grid.raw.bin_left(dim)[num_bin], grid.raw.bin_right(dim)[num_bin]) -# ) -# norma = grid.raw.bin_normalizations() -# remap_obj = pineappl.bin.BinRemapper(norma, limits) -# new_grid.set_remapper(remap_obj) -# return new_grid - - -# def create_grids( -# gridpath, -# as_order, -# min_al, -# order_to_update, -# centrals_k_factor, -# alphas, -# order_exists, -# ): -# """Create all the necessary grids for a certain starting grid.""" -# grid = pineappl.grid.Grid.read(gridpath) - -# # first and last alpha_s orders -# m_value, max_as = as_order - -# # if the order is not yet there add it -# max_as_required = max_as if order_exists else max_as + 1 -# nec_orders = compute_orders_map(m_value, max_as_required, min_al, order_to_update) -# grid_list = {} -# for to_construct_order in nec_orders: -# list_grid_order = [] -# for nec_order in nec_orders[to_construct_order]: -# list_grid_order.append( -# create_singlegridonly( -# grid, -# nec_order, -# to_construct_order, -# centrals_k_factor, -# alphas, -# order_exists, -# ) -# ) -# grid_list[to_construct_order] = list_grid_order -# return grid_list, nec_orders - - def is_already_in(to_check, list_orders): """Check if the requested order is already in the grid.""" for order in list_orders: @@ -254,78 +144,41 @@ def is_already_in(to_check, list_orders): return False -# def construct_and_merge_grids( -# grid_path, -# as_order, -# order_to_update, -# min_al, -# centrals_kfactor, -# alphas, -# target_folder, -# order_exists, -# ): -# """Create, write and merge all the grids.""" -# # Creating all the necessary grids -# grid_list, nec_orders = create_grids( -# grid_path, -# as_order, -# min_al, -# order_to_update, -# centrals_kfactor, -# alphas, -# order_exists, -# ) -# # Writing the sv grids -# grids_paths = scale_variations.write_grids(gridpath=grid_path, grid_list=grid_list) -# # Merging all together -# scale_variations.merge_grids( -# gridpath=grid_path, -# grid_list_path=grids_paths, -# target_path=target_folder, -# nec_orders=nec_orders, -# order_exists=order_exists, -# ) - - -def construct_new_order(grid, order_to_update, central_k_factor, alphas, order_exists): +def construct_new_order(grid, order, order_to_update, central_kfactor, alphas): """Construct a scaled grid, with the given order. Parameters ---------- grid : pineappl.grid loaded grid - order_to_update : int + order : int + current alpha_s order + order_to_update: alpha_s order to update central_kfactor : np.ndarray kfactors to apply alphas : lhapdf.AlphaS alphas - order_exists: bool - True if the order to update is already present """ # extract the relevant order to rescale from the grid for each lumi and bin grid_orders = [order.as_tuple() for order in grid.orders()] - # TODO: is it correct to update only the central scale? + # NOTE: eventual QED corrections are not supported order_to_update = (order_to_update, grid_orders[0][1], 0, 0) new_grid = scale_variations.initialize_new_grid(grid, order_to_update) - - # if the order is the same rescale the original else rescale the last one - orignal_order = order_to_update if order_exists else grid_orders[-1] - orginal_order_index = grid_orders.index(orignal_order) + orginal_order_index = grid_orders.index(order) for lumi_index in range(len(new_grid.lumi())): for bin_index in range(grid.bins()): extracted_subgrid = grid.subgrid(orginal_order_index, bin_index, lumi_index) scales_array = construct_scales_array( rengrid(extracted_subgrid), - orignal_order, + order, order_to_update, - central_k_factor, + central_kfactor, bin_index, alphas, - order_exists, ) scaled_subgrid = scale_subgrid(extracted_subgrid, scales_array) # Set this subgrid inside the new grid @@ -370,6 +223,7 @@ def do_it( True if the order to update is already present """ grid_orders = [order.as_tuple() for order in grid.orders()] + min_as = grid_orders[0][0] min_al = grid_orders[0][1] # check if the order is already there @@ -383,9 +237,18 @@ def do_it( rich.print("[red] Abort: order exists is True but order not in the grid.") return - new_order_grid = construct_new_order( - grid, order_to_update, central_kfactor, alphas, is_in - ) + # loop on all the order to update + orders_list = [ + (min_as + de, min_al, 0, 0) for de in range(order_to_update + 1) + ] + # create an enmpty grid + new_order_grid = scale_variations.initialize_new_grid(grid, order_to_update) + for as_order in orders_list: + new_order_grid.merge( + construct_new_order( + grid, as_order, order_to_update, central_kfactor, alphas + ) + ) new_grid = grid # if the new order is there, clean the old one. diff --git a/tests/test_kfactor.py b/tests/test_kfactor.py index ecd1fcd6..0db2c533 100644 --- a/tests/test_kfactor.py +++ b/tests/test_kfactor.py @@ -33,7 +33,6 @@ def test_compute_scale_factor(): fake_kfactor, bin_index, myfakealpha, - False, ), (1.0 / const_value) * (fake_kfactor[bin_index] - 1.0), ) @@ -45,7 +44,6 @@ def test_compute_scale_factor(): fake_kfactor, bin_index, myfakealpha, - False, ), (1.0 / (const_value**2)) * (fake_kfactor[bin_index] - 1.0), ) From 4dfd7a8b9359458a9f094feca66d331c3f72b03f Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Fri, 15 Mar 2024 17:14:44 +0100 Subject: [PATCH 05/35] try to make bench passing --- benchmarks/bench_cli.py | 5 ++--- benchmarks/bench_kfactor.py | 4 ++-- src/pineko/kfactor.py | 17 ++++++++++------- 3 files changed, 14 insertions(+), 12 deletions(-) diff --git a/benchmarks/bench_cli.py b/benchmarks/bench_cli.py index 86a1b29e..902a7b06 100644 --- a/benchmarks/bench_cli.py +++ b/benchmarks/bench_cli.py @@ -137,7 +137,7 @@ def benchmark_kfactor_cli(test_files, tmp_path): grid_folder = test_files / "data" / "grids" / "400" kfolder = test_files / "data" / "kfactors" fake_yaml_path = test_files / "data" / "yamldb" / "ATLAS_TTB_FAKE.yaml" - max_as = "3" + ordr_to_update = "3" target_path = tmp_path res = runner.invoke( command, @@ -147,8 +147,7 @@ def benchmark_kfactor_cli(test_files, tmp_path): str(kfolder), str(fake_yaml_path), str(target_path), - max_as, - "False", + ordr_to_update, ], ) assert "The number of bins match the lenght of the k-factor" in res.output diff --git a/benchmarks/bench_kfactor.py b/benchmarks/bench_kfactor.py index 76644dfb..88e70a89 100644 --- a/benchmarks/bench_kfactor.py +++ b/benchmarks/bench_kfactor.py @@ -7,13 +7,13 @@ def benchmark_kfactor_inclusion(test_files, tmp_path, test_pdf, lhapdf_path): fake_yaml_path = test_files / "data" / "yamldb" / "ATLAS_TTB_FAKE.yaml" - max_as = 3 + order_to_update = 3 pdf_name = "NNPDF40_nnlo_as_01180" kfactor.compute_k_factor_grid( test_files / "data" / "grids" / "400", test_files / "data" / "kfactors", fake_yaml_path, - max_as, + order_to_update, target_folder=tmp_path, ) pluskfactor_grid_path = tmp_path / "ATLAS_TTB_8TEV_LJ_TRAP.pineappl.lz4" diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 0816ae1c..ecb9d02f 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -151,9 +151,9 @@ def construct_new_order(grid, order, order_to_update, central_kfactor, alphas): ---------- grid : pineappl.grid loaded grid - order : int + order : tuple current alpha_s order - order_to_update: + order_to_update: tuple alpha_s order to update central_kfactor : np.ndarray kfactors to apply @@ -165,7 +165,6 @@ def construct_new_order(grid, order, order_to_update, central_kfactor, alphas): grid_orders = [order.as_tuple() for order in grid.orders()] # NOTE: eventual QED corrections are not supported - order_to_update = (order_to_update, grid_orders[0][1], 0, 0) new_grid = scale_variations.initialize_new_grid(grid, order_to_update) orginal_order_index = grid_orders.index(order) @@ -238,10 +237,10 @@ def do_it( return # loop on all the order to update - orders_list = [ - (min_as + de, min_al, 0, 0) for de in range(order_to_update + 1) - ] - # create an enmpty grid + max_as = grid_orders[-1][0] + 1 if is_in else grid_orders[0][0] + orders_list = [(de, min_al, 0, 0) for de in range(min_as, max_as)] + # create an empty grid and add the rescaled order + order_to_update = (order_to_update, grid_orders[0][1], 0, 0) new_order_grid = scale_variations.initialize_new_grid(grid, order_to_update) for as_order in orders_list: new_order_grid.merge( @@ -256,7 +255,11 @@ def do_it( new_grid = scale_variations.construct_and_dump_order_exists_grid( grid, order_to_update ) + # merge the updated order with the original one. new_grid.merge(new_order_grid) + import pdb + + pdb.set_trace() new_grid.write_lz4(target_grid_path) From 746bc4daa595e7daeff82191d5eb993329a82336 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Fri, 15 Mar 2024 17:17:54 +0100 Subject: [PATCH 06/35] remove pdb --- src/pineko/kfactor.py | 3 --- 1 file changed, 3 deletions(-) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index ecb9d02f..e1c31966 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -257,9 +257,6 @@ def do_it( ) # merge the updated order with the original one. new_grid.merge(new_order_grid) - import pdb - - pdb.set_trace() new_grid.write_lz4(target_grid_path) From 4d97c72b5bfe51a4509d70697bc3844d9520d162 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Fri, 15 Mar 2024 17:33:17 +0100 Subject: [PATCH 07/35] restore mask --- benchmarks/bench_cli.py | 2 +- src/pineko/kfactor.py | 5 +++++ 2 files changed, 6 insertions(+), 1 deletion(-) diff --git a/benchmarks/bench_cli.py b/benchmarks/bench_cli.py index 902a7b06..8bc1ffdf 100644 --- a/benchmarks/bench_cli.py +++ b/benchmarks/bench_cli.py @@ -150,4 +150,4 @@ def benchmark_kfactor_cli(test_files, tmp_path): ordr_to_update, ], ) - assert "The number of bins match the lenght of the k-factor" in res.output + assert "The number of bins match the length of the k-factor" in res.output diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index e1c31966..c3d9c974 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -222,6 +222,11 @@ def do_it( True if the order to update is already present """ grid_orders = [order.as_tuple() for order in grid.orders()] + + # remove not necessary orders + order_mask = pineappl.grid.Order.create_mask(grid.orders(), order_to_update, 0, True) + grid_orders_filtered = list(np.array(grid_orders)[order_mask]) + grid_orders_filtered.sort(key=scale_variations.qcd) min_as = grid_orders[0][0] min_al = grid_orders[0][1] From fb5b9f85f2745cf19dd768dbeed7c23c309c0528 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Fri, 15 Mar 2024 17:51:36 +0100 Subject: [PATCH 08/35] more work --- src/pineko/kfactor.py | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index c3d9c974..171e6fd2 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -246,13 +246,13 @@ def do_it( orders_list = [(de, min_al, 0, 0) for de in range(min_as, max_as)] # create an empty grid and add the rescaled order order_to_update = (order_to_update, grid_orders[0][1], 0, 0) - new_order_grid = scale_variations.initialize_new_grid(grid, order_to_update) - for as_order in orders_list: - new_order_grid.merge( - construct_new_order( - grid, as_order, order_to_update, central_kfactor, alphas - ) - ) + new_order_grid = None + for i, as_order in enumerate(orders_list): + order_grid = construct_new_order(grid, as_order, order_to_update, central_kfactor, alphas) + if i == 0: + new_order_grid = order_grid + else: + new_order_grid.merge(order_grid) new_grid = grid # if the new order is there, clean the old one. From 16d8279adaae2231bc8567864e5a0241844d6779 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Fri, 15 Mar 2024 18:05:42 +0100 Subject: [PATCH 09/35] more fixes --- src/pineko/kfactor.py | 13 +++++++------ 1 file changed, 7 insertions(+), 6 deletions(-) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 171e6fd2..d8ffa1fd 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -227,11 +227,11 @@ def do_it( order_mask = pineappl.grid.Order.create_mask(grid.orders(), order_to_update, 0, True) grid_orders_filtered = list(np.array(grid_orders)[order_mask]) grid_orders_filtered.sort(key=scale_variations.qcd) - min_as = grid_orders[0][0] - min_al = grid_orders[0][1] + min_as = grid_orders_filtered[0][0] + min_al = grid_orders_filtered[0][1] # check if the order is already there - is_in = is_already_in((order_to_update, min_al, 0, 0), grid_orders) + is_in = is_already_in((order_to_update, min_al, 0, 0), grid_orders_filtered) # Prevent summing orders incoherently if is_in and not order_exists: @@ -242,10 +242,10 @@ def do_it( return # loop on all the order to update - max_as = grid_orders[-1][0] + 1 if is_in else grid_orders[0][0] - orders_list = [(de, min_al, 0, 0) for de in range(min_as, max_as)] + max_as = grid_orders_filtered[-1][0] + orders_list = [(de, min_al, 0, 0) for de in range(min_as, max_as + 1)] # create an empty grid and add the rescaled order - order_to_update = (order_to_update, grid_orders[0][1], 0, 0) + order_to_update = (order_to_update, grid_orders_filtered[0][1], 0, 0) new_order_grid = None for i, as_order in enumerate(orders_list): order_grid = construct_new_order(grid, as_order, order_to_update, central_kfactor, alphas) @@ -261,6 +261,7 @@ def do_it( grid, order_to_update ) # merge the updated order with the original one. + import pdb; pdb.set_trace() new_grid.merge(new_order_grid) new_grid.write_lz4(target_grid_path) From a4626f2e19a1c2b0cf45da9ee1043f1bc938da00 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Fri, 15 Mar 2024 18:08:46 +0100 Subject: [PATCH 10/35] remove pdb --- src/pineko/kfactor.py | 1 - 1 file changed, 1 deletion(-) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index d8ffa1fd..adbb7d0a 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -261,7 +261,6 @@ def do_it( grid, order_to_update ) # merge the updated order with the original one. - import pdb; pdb.set_trace() new_grid.merge(new_order_grid) new_grid.write_lz4(target_grid_path) From c9d4c434f86bf2a9ee7c97ec28ecf60b7cbe5dd7 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Sat, 16 Mar 2024 01:34:52 +0100 Subject: [PATCH 11/35] add some docs and fix names --- benchmarks/bench_kfactor.py | 4 ++-- docs/source/theory/kfactors.rst | 12 +++++++++-- src/pineko/cli/kfactor.py | 6 +++--- src/pineko/kfactor.py | 35 +++++++++++++++++---------------- 4 files changed, 33 insertions(+), 24 deletions(-) diff --git a/benchmarks/bench_kfactor.py b/benchmarks/bench_kfactor.py index 88e70a89..575e8d83 100644 --- a/benchmarks/bench_kfactor.py +++ b/benchmarks/bench_kfactor.py @@ -7,13 +7,13 @@ def benchmark_kfactor_inclusion(test_files, tmp_path, test_pdf, lhapdf_path): fake_yaml_path = test_files / "data" / "yamldb" / "ATLAS_TTB_FAKE.yaml" - order_to_update = 3 + pto_to_update = 3 # here we want to update NNLO pdf_name = "NNPDF40_nnlo_as_01180" kfactor.compute_k_factor_grid( test_files / "data" / "grids" / "400", test_files / "data" / "kfactors", fake_yaml_path, - order_to_update, + pto_to_update, target_folder=tmp_path, ) pluskfactor_grid_path = tmp_path / "ATLAS_TTB_8TEV_LJ_TRAP.pineappl.lz4" diff --git a/docs/source/theory/kfactors.rst b/docs/source/theory/kfactors.rst index cb8222cb..3fbe6d71 100644 --- a/docs/source/theory/kfactors.rst +++ b/docs/source/theory/kfactors.rst @@ -4,8 +4,16 @@ K-Factors Another useful tool that `pineko` includes is ``pineko kfactor`` which allows the embedding of a kfactor as a proper order in a grid. The usage is the following:: - pineko kfactor GRIDS_FOLDER KFACTOR_FOLDER YAMLDB_PATH TARGET_FOLDER MAX_AS ORDER_EXISTS + pineko kfactor GRIDS_FOLDER KFACTOR_FOLDER YAMLDB_FILE TARGET_FOLDER PTO_TO_UPDATE --order_exists where ``GRIDS_FOLDER`` is the folder containing the grids to update, ``KFACTOR_FOLDER`` is the folder -containing the kfactor files and ``YAMLDB_PATH`` is the path to the yamldb file of the requested dataset. +containing the kfactor files and ``YAMLDB_FILE`` is the path to the yamldb file of the requested dataset. The other inputs have already been described in the previous section. +``PTO_TO_UPDATE`` is the :math:`\alpha_s` perturbative order to update or create, with the convention that +``LO=1``, ``NLO=2`` and so on, irrespectively to the powers of alpha_s. +Note that only pure QCD kfactors are taken into account. +If the flag ``order_exists`` is passed the kfactor is applied to the specified perturbative order. + +For example to add the NNLO in a grid containing at most NLO one has to select ``PTO_TO_UPDATE=2``; +nn the other hand to reweight the NNLO present in a grid with a kfactor, +one should do ``PTO_TO_UPDATE=2 --order_exists``. \ No newline at end of file diff --git a/src/pineko/cli/kfactor.py b/src/pineko/cli/kfactor.py index 1bebc58d..a1678405 100644 --- a/src/pineko/cli/kfactor.py +++ b/src/pineko/cli/kfactor.py @@ -13,14 +13,14 @@ @click.argument("kfactor_folder", type=click.Path(exists=True)) @click.argument("yamldb_file", type=click.Path(exists=True)) @click.argument("target_folder", type=click.Path(exists=True)) -@click.argument("order_to_update", type=int) +@click.argument("pto_to_update", type=int) @click.option("--order_exists", is_flag=True, help="Owerwrite an existing order.") def k_factor_inclusion( grids_folder, kfactor_folder, yamldb_file, target_folder, - order_to_update, + pto_to_update, order_exists, ): """Construct new grid with k_factor included.""" @@ -32,7 +32,7 @@ def k_factor_inclusion( grids_folder, kfactor_folder, yamldb_file, - order_to_update, + pto_to_update, target_folder=target_folder, order_exists=order_exists, ) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index adbb7d0a..27667ec8 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -93,11 +93,6 @@ def compute_scale_factor( index of the bin alphas: lhapdf.AlphaS alpha_s object - - Returns - ------- - float - full contribution factor """ alpha_val = alphas.alphasQ2(mu2) max_as = order_to_update[0] @@ -160,11 +155,9 @@ def construct_new_order(grid, order, order_to_update, central_kfactor, alphas): alphas : lhapdf.AlphaS alphas """ - # extract the relevant order to rescale from the grid for each lumi and bin grid_orders = [order.as_tuple() for order in grid.orders()] - # NOTE: eventual QED corrections are not supported new_grid = scale_variations.initialize_new_grid(grid, order_to_update) orginal_order_index = grid_orders.index(order) @@ -200,7 +193,7 @@ def do_it( central_kfactor, alphas, grid, - order_to_update, + pto_to_update, target_grid_path, order_exists, ): @@ -214,8 +207,9 @@ def do_it( alphas grid : pineappl.grid loaded grid - order_to_update : int - alpha_s order to update + pto_to_update : int + perturbative order to update: 1 = LO, 2 = NLO ... + no matter which power of alpha_s it is. target_grid_path: pathlib.Path path where store the new grid order_exists: bool @@ -224,12 +218,16 @@ def do_it( grid_orders = [order.as_tuple() for order in grid.orders()] # remove not necessary orders - order_mask = pineappl.grid.Order.create_mask(grid.orders(), order_to_update, 0, True) + # NOTE: eventual QED corrections are not supported + order_mask = pineappl.grid.Order.create_mask(grid.orders(), pto_to_update, 0, True) grid_orders_filtered = list(np.array(grid_orders)[order_mask]) grid_orders_filtered.sort(key=scale_variations.qcd) min_as = grid_orders_filtered[0][0] min_al = grid_orders_filtered[0][1] + # the actual alpha_s order to update + order_to_update = pto_to_update + min_as - 1 + # check if the order is already there is_in = is_already_in((order_to_update, min_al, 0, 0), grid_orders_filtered) @@ -248,7 +246,9 @@ def do_it( order_to_update = (order_to_update, grid_orders_filtered[0][1], 0, 0) new_order_grid = None for i, as_order in enumerate(orders_list): - order_grid = construct_new_order(grid, as_order, order_to_update, central_kfactor, alphas) + order_grid = construct_new_order( + grid, as_order, order_to_update, central_kfactor, alphas + ) if i == 0: new_order_grid = order_grid else: @@ -309,7 +309,7 @@ def compute_k_factor_grid( grids_folder, kfactor_folder, yamldb_path, - order_to_update, + pto_to_update, target_folder=None, order_exists=False, ): @@ -323,8 +323,9 @@ def compute_k_factor_grid( kfactors folder yamldb_path : pathlib.Path() path to the yaml file describing the dataset - order_to_update : int - alpha_s order to update + pto_to_update : int + perturbative order to update: 1 = LO, 2 = NLO ... + no matter which power of alpha_s it is. target_folder: pathlib.Path path where store the new grid order_exists: bool @@ -340,7 +341,7 @@ def compute_k_factor_grid( for grid_list in yamldict["operands"]: # loop on grids for grid in grid_list: - # TODO: kfactor type should be passed as argument + # TODO: generalize for other type of kfactors ? cfac_path = kfactor_folder / f"CF_QCD_{grid}.dat" if "ATLASDY2D8TEV" in grid: cfac_path = kfactor_folder / f"CF_QCDEWK_{grid}.dat" @@ -356,7 +357,7 @@ def compute_k_factor_grid( central_kfactor_filtered, alphas, current_grid, - order_to_update, + pto_to_update, target_folder / grid_name, order_exists, ) From 8dc15f0b44f1c19418b076374e5833ee42f21833 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Sat, 16 Mar 2024 09:29:44 +0100 Subject: [PATCH 12/35] some cleaning in scale variations --- benchmarks/bench_cli.py | 5 +- src/pineko/kfactor.py | 10 ++-- src/pineko/scale_variations.py | 88 ++++++++++------------------------ 3 files changed, 32 insertions(+), 71 deletions(-) diff --git a/benchmarks/bench_cli.py b/benchmarks/bench_cli.py index 8bc1ffdf..ca518cb4 100644 --- a/benchmarks/bench_cli.py +++ b/benchmarks/bench_cli.py @@ -113,9 +113,8 @@ def benchmark_scaffold_cli(test_empty_proj): assert "Success: All the folders are correctly configured" in res.output -def benchmark_gen_sv_cli(test_files, tmp_path, test_pdf, lhapdf_path): +def benchmark_gen_sv_cli(test_files, tmp_path): runner = CliRunner() - pdf_name = "NNPDF40_nlo_as_01180" max_as = "2" nf = "5" name_grid = "ATLAS_TTB_8TEV_LJ_TRAP_norensv_fixed.pineappl.lz4" @@ -123,8 +122,6 @@ def benchmark_gen_sv_cli(test_files, tmp_path, test_pdf, lhapdf_path): new_grid_path = tmp_path / name_grid target_path = tmp_path shutil.copy(grid_path, new_grid_path) - with lhapdf_path(test_pdf): - pdf = lhapdf.mkPDF(pdf_name) res = runner.invoke( command, ["ren_sv_grid", str(new_grid_path), str(target_path), max_as, nf, "False"], diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 27667ec8..9a59c2c4 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -9,6 +9,7 @@ from pineappl import import_only_subgrid from . import scale_variations +from . scale_variations import orders_as_tuple DEFAULT_PDF_SET = "NNPDF40_nnlo_as_01180" @@ -156,7 +157,7 @@ def construct_new_order(grid, order, order_to_update, central_kfactor, alphas): alphas """ # extract the relevant order to rescale from the grid for each lumi and bin - grid_orders = [order.as_tuple() for order in grid.orders()] + grid_orders = orders_as_tuple(grid) new_grid = scale_variations.initialize_new_grid(grid, order_to_update) orginal_order_index = grid_orders.index(order) @@ -215,14 +216,15 @@ def do_it( order_exists: bool True if the order to update is already present """ - grid_orders = [order.as_tuple() for order in grid.orders()] + grid_orders = orders_as_tuple(grid) # remove not necessary orders - # NOTE: eventual QED corrections are not supported + # NOTE: eventual QED kfactors are not supported order_mask = pineappl.grid.Order.create_mask(grid.orders(), pto_to_update, 0, True) grid_orders_filtered = list(np.array(grid_orders)[order_mask]) grid_orders_filtered.sort(key=scale_variations.qcd) min_as = grid_orders_filtered[0][0] + # TODO: this is always going to be 0, given the mask above ... min_al = grid_orders_filtered[0][1] # the actual alpha_s order to update @@ -243,7 +245,7 @@ def do_it( max_as = grid_orders_filtered[-1][0] orders_list = [(de, min_al, 0, 0) for de in range(min_as, max_as + 1)] # create an empty grid and add the rescaled order - order_to_update = (order_to_update, grid_orders_filtered[0][1], 0, 0) + order_to_update = (order_to_update, min_al, 0, 0) new_order_grid = None for i, as_order in enumerate(orders_list): order_grid = construct_new_order( diff --git a/src/pineko/scale_variations.py b/src/pineko/scale_variations.py index 67d993b9..33f9f7fe 100644 --- a/src/pineko/scale_variations.py +++ b/src/pineko/scale_variations.py @@ -30,6 +30,8 @@ def qcd(order: OrderTuple) -> int: """Extract the QCD order from an OrderTuple.""" return order[0] +def orders_as_tuple(grid: pineappl.grid.Grid) -> list[OrderTuple]: + return [order.as_tuple() for order in grid.orders()] def ren_sv_coeffs(m, max_as, logpart, which_part, nf): """Ren_sv coefficient for the requested part. @@ -114,7 +116,7 @@ def create_svonly(grid, order, new_order, scalefactor): """Create a grid containing only the renormalization scale variations at a given order for a grid.""" new_grid = initialize_new_grid(grid, new_order) # extract the relevant order to rescale from the grid for each lumi and bin - grid_orders = [order.as_tuple() for order in grid.orders()] + grid_orders = orders_as_tuple(grid) order_index = grid_orders.index(order) for lumi_index in range(len(new_grid.lumi())): for bin_index in range(grid.bins()): @@ -137,7 +139,7 @@ def create_svonly(grid, order, new_order, scalefactor): def create_grids(gridpath, max_as, nf): """Create all the necessary scale variations grids for a certain starting grid.""" grid = pineappl.grid.Grid.read(gridpath) - grid_orders = [orde.as_tuple() for orde in grid.orders()] + grid_orders = orders_as_tuple(grid) order_mask = pineappl.grid.Order.create_mask(grid.orders(), max_as, 0, True) grid_orders_filtered = list(np.array(grid_orders)[order_mask]) grid_orders_filtered.sort(key=qcd) @@ -159,47 +161,7 @@ def create_grids(gridpath, max_as, nf): ) grid_list[to_construct_order] = list_grid_order - return grid_list, nec_orders - - -def write_grids(gridpath, grid_list): - """Write the single grids.""" - base_name = gridpath.stem.split(".pineappl")[0] - final_part = ".pineappl.lz4" - grid_paths = [] - for order in grid_list: - # For each scale variation order, if more than one grid contributes, merge them all together in a single one - if len(grid_list[order]) > 1: - for grid in grid_list[order][1:]: - tmp_path = gridpath.parent / ("tmp" + final_part) - grid.write_lz4(tmp_path) - grid_list[order][0].merge_from_file(tmp_path) - tmp_path.unlink() - new_grid_path = gridpath.parent / ( - base_name + "_" + str(order[2]) + final_part - ) # order[2] is the ren_sv order - grid_paths.append(new_grid_path) - grid_list[order][0].write_lz4(new_grid_path) - return grid_paths - - -def merge_grids( - gridpath, grid_list_path, target_path=None, nec_orders=None, order_exists=False -): - """Merge the single grids in the original.""" - grid = pineappl.grid.Grid.read(gridpath) - if target_path is None: - target_path = gridpath.parent / gridpath.name - else: - target_path = target_path / gridpath.name - if order_exists: - grid = construct_and_dump_order_exists_grid( - grid, list(nec_orders)[0] if nec_orders is not None else [] - ) - for grid_path in grid_list_path: - grid.merge_from_file(grid_path) - grid_path.unlink() - grid.write_lz4(target_path) + return grid_list def construct_and_dump_order_exists_grid(ori_grid, to_construct_order): @@ -212,13 +174,11 @@ def construct_and_dump_order_exists_grid(ori_grid, to_construct_order): to_construct_order: order to delete """ - - # TODO: maybe we can make this function simpler ?? - + # TODO: can we make this function simpler ?? bin_limits = [float(bin) for bin in range(ori_grid.bins() + 1)] lumi_grid = [pineappl.lumi.LumiEntry(mylum) for mylum in ori_grid.lumi()] subgrid_params = pineappl.subgrid.SubgridParams() - ori_grid_orders = [order.as_tuple() for order in ori_grid.orders()] + ori_grid_orders = orders_as_tuple(ori_grid) new_orders = [ pineappl.grid.Order(*ord) for ord in ori_grid_orders @@ -268,9 +228,8 @@ def compute_ren_sv_grid( ): """Generate renormalization scale variation terms for the given grid, according to the max_as.""" # First let's check if the ren_sv are already there - checkres, max_as_effective = check.contains_sv( - pineappl.grid.Grid.read(grid_path), max_as, 0, check.Scale.REN - ) + grid = pineappl.grid.Grid.read(grid_path) + checkres, max_as_effective = check.contains_sv(grid, max_as, 0, check.Scale.REN) # Usual different convention with max_as if max_as_effective == max_as and (checkres is not check.AvailableAtMax.CENTRAL): if not order_exists: @@ -279,18 +238,21 @@ def compute_ren_sv_grid( return ReturnState.ORDER_EXISTS_FAILURE if max_as_effective < max_as and checkres is check.AvailableAtMax.SCVAR: return ReturnState.MISSING_CENTRAL + # Create all the necessary grids # With respect to the usual convention here max_as is max_as-1 - max_as -= 1 - # Creating all the necessary grids - grid_list, nec_orders = create_grids(grid_path, max_as, nf) - # Writing the sv grids - sv_grids_paths = write_grids(gridpath=grid_path, grid_list=grid_list) - # Merging all together - merge_grids( - gridpath=grid_path, - grid_list_path=sv_grids_paths, - target_path=target_path, - nec_orders=nec_orders, - order_exists=order_exists, - ) + grid_list = create_grids(grid_path, max_as - 1, nf) + + # merge them + for sv_order, sv_grids in grid_list.items(): + # if the new order is there, clean the old one. + if sv_order in orders_as_tuple(grid): + grid = construct_and_dump_order_exists_grid( + grid, list(grid_list)[0] + ) + for sv_grid in sv_grids: + grid.merge(sv_grid) + # save + if target_path is None: + target_path = grid_path.parent + grid.write_lz4(target_path / grid_path.name) return ReturnState.SUCCESS From 3f94e4cba022eb12ad0131cd09535e59bebe6647 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Sat, 16 Mar 2024 09:39:59 +0100 Subject: [PATCH 13/35] pre-commit --- docs/source/theory/kfactors.rst | 6 +++--- src/pineko/kfactor.py | 2 +- src/pineko/scale_variations.py | 9 +++++---- 3 files changed, 9 insertions(+), 8 deletions(-) diff --git a/docs/source/theory/kfactors.rst b/docs/source/theory/kfactors.rst index 3fbe6d71..fc32398b 100644 --- a/docs/source/theory/kfactors.rst +++ b/docs/source/theory/kfactors.rst @@ -9,11 +9,11 @@ as a proper order in a grid. The usage is the following:: where ``GRIDS_FOLDER`` is the folder containing the grids to update, ``KFACTOR_FOLDER`` is the folder containing the kfactor files and ``YAMLDB_FILE`` is the path to the yamldb file of the requested dataset. The other inputs have already been described in the previous section. -``PTO_TO_UPDATE`` is the :math:`\alpha_s` perturbative order to update or create, with the convention that +``PTO_TO_UPDATE`` is the :math:`\alpha_s` perturbative order to update or create, with the convention that ``LO=1``, ``NLO=2`` and so on, irrespectively to the powers of alpha_s. Note that only pure QCD kfactors are taken into account. If the flag ``order_exists`` is passed the kfactor is applied to the specified perturbative order. For example to add the NNLO in a grid containing at most NLO one has to select ``PTO_TO_UPDATE=2``; -nn the other hand to reweight the NNLO present in a grid with a kfactor, -one should do ``PTO_TO_UPDATE=2 --order_exists``. \ No newline at end of file +nn the other hand to reweight the NNLO present in a grid with a kfactor, +one should do ``PTO_TO_UPDATE=2 --order_exists``. diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 9a59c2c4..9d590638 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -9,7 +9,7 @@ from pineappl import import_only_subgrid from . import scale_variations -from . scale_variations import orders_as_tuple +from .scale_variations import orders_as_tuple DEFAULT_PDF_SET = "NNPDF40_nnlo_as_01180" diff --git a/src/pineko/scale_variations.py b/src/pineko/scale_variations.py index 33f9f7fe..da43ff44 100644 --- a/src/pineko/scale_variations.py +++ b/src/pineko/scale_variations.py @@ -30,9 +30,12 @@ def qcd(order: OrderTuple) -> int: """Extract the QCD order from an OrderTuple.""" return order[0] + def orders_as_tuple(grid: pineappl.grid.Grid) -> list[OrderTuple]: + """Return grid orders as a tuple.""" return [order.as_tuple() for order in grid.orders()] + def ren_sv_coeffs(m, max_as, logpart, which_part, nf): """Ren_sv coefficient for the requested part. @@ -139,7 +142,7 @@ def create_svonly(grid, order, new_order, scalefactor): def create_grids(gridpath, max_as, nf): """Create all the necessary scale variations grids for a certain starting grid.""" grid = pineappl.grid.Grid.read(gridpath) - grid_orders = orders_as_tuple(grid) + grid_orders = orders_as_tuple(grid) order_mask = pineappl.grid.Order.create_mask(grid.orders(), max_as, 0, True) grid_orders_filtered = list(np.array(grid_orders)[order_mask]) grid_orders_filtered.sort(key=qcd) @@ -246,9 +249,7 @@ def compute_ren_sv_grid( for sv_order, sv_grids in grid_list.items(): # if the new order is there, clean the old one. if sv_order in orders_as_tuple(grid): - grid = construct_and_dump_order_exists_grid( - grid, list(grid_list)[0] - ) + grid = construct_and_dump_order_exists_grid(grid, list(grid_list)[0]) for sv_grid in sv_grids: grid.merge(sv_grid) # save From 64e252d751439e86408e3ce70718c2075499b159 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Sat, 16 Mar 2024 09:55:30 +0100 Subject: [PATCH 14/35] update pineappl version --- poetry.lock | 1175 +++++++++++++++++--------------- pyproject.toml | 6 +- src/pineko/scale_variations.py | 2 +- 3 files changed, 623 insertions(+), 560 deletions(-) diff --git a/poetry.lock b/poetry.lock index 693b3810..9dcdad90 100644 --- a/poetry.lock +++ b/poetry.lock @@ -1,4 +1,4 @@ -# This file is automatically @generated by Poetry 1.6.1 and should not be changed by hand. +# This file is automatically @generated by Poetry 1.8.1 and should not be changed by hand. 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[extras] docs = [] @@ -2441,4 +2502,4 @@ docs = [] [metadata] lock-version = "2.0" python-versions = ">=3.8,<3.12" -content-hash = "228ac88f59802aebbb013c2a702d4e3c2cf674fc2c0511e35ecbdd0d901eddb9" +content-hash = "53983daf467b5c23d29cae2687cd550d91b96b9273bad29652ac2589c0f452af" diff --git a/pyproject.toml b/pyproject.toml index 83e6777b..6a444aa1 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -10,7 +10,9 @@ readme = "README.md" authors = [ "Alessandro Candido ", "Andrea Barontini ", - "Felix Hekhorn ", + "Felix Hekhorn ", + "Giacomo Magni ", + "Roy Stegeman ", ] classifiers = [ "Programming Language :: Python", @@ -25,7 +27,7 @@ packages = [{ include = "pineko", from = "src" }] [tool.poetry.dependencies] python = ">=3.8,<3.12" eko = "^0.14.0" -pineappl = "^0.6.2" +pineappl = "^0.6.3" PyYAML = "^6.0" numpy = "^1.21.0" pandas = "^1.4.1" diff --git a/src/pineko/scale_variations.py b/src/pineko/scale_variations.py index da43ff44..479d6279 100644 --- a/src/pineko/scale_variations.py +++ b/src/pineko/scale_variations.py @@ -31,7 +31,7 @@ def qcd(order: OrderTuple) -> int: return order[0] -def orders_as_tuple(grid: pineappl.grid.Grid) -> list[OrderTuple]: +def orders_as_tuple(grid: pineappl.grid.Grid) -> List[OrderTuple]: """Return grid orders as a tuple.""" return [order.as_tuple() for order in grid.orders()] From 770ce8133851c4fec558b587f5a0b7d0ea2955fd Mon Sep 17 00:00:00 2001 From: Felix Hekhorn Date: Mon, 18 Mar 2024 15:12:57 +0200 Subject: [PATCH 15/35] Fix pre-commit, fix kfactor docs --- docs/source/theory/kfactors.rst | 2 +- pyproject.toml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/source/theory/kfactors.rst b/docs/source/theory/kfactors.rst index fc32398b..767ef19b 100644 --- a/docs/source/theory/kfactors.rst +++ b/docs/source/theory/kfactors.rst @@ -4,7 +4,7 @@ K-Factors Another useful tool that `pineko` includes is ``pineko kfactor`` which allows the embedding of a kfactor as a proper order in a grid. The usage is the following:: - pineko kfactor GRIDS_FOLDER KFACTOR_FOLDER YAMLDB_FILE TARGET_FOLDER PTO_TO_UPDATE --order_exists + pineko kfactor GRIDS_FOLDER KFACTOR_FOLDER YAMLDB_FILE TARGET_FOLDER PTO_TO_UPDATE [--order_exists] where ``GRIDS_FOLDER`` is the folder containing the grids to update, ``KFACTOR_FOLDER`` is the folder containing the kfactor files and ``YAMLDB_FILE`` is the path to the yamldb file of the requested dataset. diff --git a/pyproject.toml b/pyproject.toml index 6a444aa1..9a0fede7 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -10,7 +10,7 @@ readme = "README.md" authors = [ "Alessandro Candido ", "Andrea Barontini ", - "Felix Hekhorn ", + "Felix Hekhorn ", "Giacomo Magni ", "Roy Stegeman ", ] From 40124ea8ffef1180cca988ee93c45d0f378d4825 Mon Sep 17 00:00:00 2001 From: Felix Hekhorn Date: Mon, 18 Mar 2024 15:41:09 +0200 Subject: [PATCH 16/35] Update scale_subgrid --- src/pineko/kfactor.py | 9 ++++++--- 1 file changed, 6 insertions(+), 3 deletions(-) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 9d590638..44a1848a 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -104,23 +104,26 @@ def compute_scale_factor( def scale_subgrid(extracted_subgrid, scales_array): - """Rescales the array contained in the subgrid using scales_array and returns a new subgrid constructed with the scaled array.""" + """Rescales the array contained in the subgrid using scales_array.""" original_array = extracted_subgrid.to_array3() if len(original_array) != len(scales_array): raise ValueError("The original and the scales arrays have different shapes.") + # construct subgrid scaled_array = [] for scale_value, arr_to_scale in zip(scales_array, original_array): scaled_array_nest = [] for arr in arr_to_scale: scaled_array_nest.append(list(arr * scale_value)) scaled_array.append(scaled_array_nest) - x1grid = extracted_subgrid.x1_grid() - x2grid = extracted_subgrid.x2_grid() if len(scales_array) == 0: scaled_array = np.zeros(shape=(0, 0, 0), dtype=float) else: scaled_array = np.array(scaled_array, dtype=float) + # get coordinates + x1grid = extracted_subgrid.x1_grid() + x2grid = extracted_subgrid.x2_grid() mu2_grid = [tuple([mu2.ren, mu2.fac]) for mu2 in extracted_subgrid.mu2_grid()] + # assemble scaled_subgrid = import_only_subgrid.ImportOnlySubgridV2( scaled_array, mu2_grid, x1grid, x2grid ) From 3163be4955b25bc48118002614d3f799284fa3f1 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Mon, 18 Mar 2024 19:07:57 +0100 Subject: [PATCH 17/35] first round of review --- docs/source/theory/kfactors.rst | 4 +- src/pineko/kfactor.py | 147 ++++++++++++++------------------ 2 files changed, 66 insertions(+), 85 deletions(-) diff --git a/docs/source/theory/kfactors.rst b/docs/source/theory/kfactors.rst index 767ef19b..08b93070 100644 --- a/docs/source/theory/kfactors.rst +++ b/docs/source/theory/kfactors.rst @@ -7,8 +7,8 @@ as a proper order in a grid. The usage is the following:: pineko kfactor GRIDS_FOLDER KFACTOR_FOLDER YAMLDB_FILE TARGET_FOLDER PTO_TO_UPDATE [--order_exists] where ``GRIDS_FOLDER`` is the folder containing the grids to update, ``KFACTOR_FOLDER`` is the folder -containing the kfactor files and ``YAMLDB_FILE`` is the path to the yamldb file of the requested dataset. -The other inputs have already been described in the previous section. +containing the kfactor files, ``YAMLDB_FILE`` is the path to the yamldb file of the requested dataset, +``TARGET_FOLDER`` is the folder where the new updated grids is going to be saved. ``PTO_TO_UPDATE`` is the :math:`\alpha_s` perturbative order to update or create, with the convention that ``LO=1``, ``NLO=2`` and so on, irrespectively to the powers of alpha_s. Note that only pure QCD kfactors are taken into account. diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 44a1848a..01c3c9e1 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -14,11 +14,6 @@ DEFAULT_PDF_SET = "NNPDF40_nnlo_as_01180" -def rengrid(subgrid): - """Return the array of the renormalization scales squared from a subgrid.""" - return np.array([mu2.ren for mu2 in subgrid.mu2_grid()]) - - def read_kfactor(kfactor_path): """Read the k-factor and returns the central values and the pdfset used to compute it.""" with open(kfactor_path, encoding="utf-8") as f: @@ -46,49 +41,25 @@ def read_kfactor(kfactor_path): return central_value, pdf_set -def construct_scales_array( - mu2_ren_grid, - order, - order_to_update, - central_k_factor, - bin_index, - alphas, -): - """Construct the array that will rescale the subgrid array taking into account the different renormalization scales.""" - scales_array = [] - for mu2 in mu2_ren_grid: - scales_array.append( - compute_scale_factor( - order, - order_to_update, - mu2, - central_k_factor, - bin_index, - alphas, - ) - ) - return scales_array - - def compute_scale_factor( order, order_to_update, mu2, - central_k_factor, + central_kfactor, bin_index, alphas, ): - """Compute the factor to be multiplied to the given nec_order. + """Compute the factor to be multiplied to the given the required order. Parameters ---------- - nec_order : tuple(int) + order : tuple(int) tuple of the order that has to be rescaled to get the final order order_to_update : tuple(int) order to update mu2: float energy scale squared of the bin - central_k_factor: list(float) + central_kfactor: list(float) list of the centrals k-factors bin_index: int index of the bin @@ -99,13 +70,13 @@ def compute_scale_factor( max_as = order_to_update[0] as_order = order[0] alpha_term = 1.0 / pow(alpha_val, max_as - as_order) - k_term = central_k_factor[bin_index] - 1.0 + k_term = central_kfactor[bin_index] - 1.0 return k_term * alpha_term -def scale_subgrid(extracted_subgrid, scales_array): +def scale_subgrid(subgrid, scales_array): """Rescales the array contained in the subgrid using scales_array.""" - original_array = extracted_subgrid.to_array3() + original_array = subgrid.to_array3() if len(original_array) != len(scales_array): raise ValueError("The original and the scales arrays have different shapes.") # construct subgrid @@ -120,9 +91,9 @@ def scale_subgrid(extracted_subgrid, scales_array): else: scaled_array = np.array(scaled_array, dtype=float) # get coordinates - x1grid = extracted_subgrid.x1_grid() - x2grid = extracted_subgrid.x2_grid() - mu2_grid = [tuple([mu2.ren, mu2.fac]) for mu2 in extracted_subgrid.mu2_grid()] + x1grid = subgrid.x1_grid() + x2grid = subgrid.x2_grid() + mu2_grid = [tuple([mu2.ren, mu2.fac]) for mu2 in subgrid.mu2_grid()] # assemble scaled_subgrid = import_only_subgrid.ImportOnlySubgridV2( scaled_array, mu2_grid, x1grid, x2grid @@ -167,16 +138,20 @@ def construct_new_order(grid, order, order_to_update, central_kfactor, alphas): for lumi_index in range(len(new_grid.lumi())): for bin_index in range(grid.bins()): - extracted_subgrid = grid.subgrid(orginal_order_index, bin_index, lumi_index) - scales_array = construct_scales_array( - rengrid(extracted_subgrid), - order, - order_to_update, - central_kfactor, - bin_index, - alphas, - ) - scaled_subgrid = scale_subgrid(extracted_subgrid, scales_array) + subgrid = grid.subgrid(orginal_order_index, bin_index, lumi_index) + mu2_ren_grid = [mu2.ren for mu2 in subgrid.mu2_grid()] + scales_array = [ + compute_scale_factor( + order, + order_to_update, + mu2, + central_kfactor, + bin_index, + alphas, + ) + for mu2 in mu2_ren_grid + ] + scaled_subgrid = scale_subgrid(subgrid, scales_array) # Set this subgrid inside the new grid new_grid.set_subgrid(0, bin_index, lumi_index, scaled_subgrid) # Fixing bin_limits and normalizations @@ -232,9 +207,10 @@ def do_it( # the actual alpha_s order to update order_to_update = pto_to_update + min_as - 1 + order_to_update = (order_to_update, min_al, 0, 0) # check if the order is already there - is_in = is_already_in((order_to_update, min_al, 0, 0), grid_orders_filtered) + is_in = is_already_in(order_to_update, grid_orders_filtered) # Prevent summing orders incoherently if is_in and not order_exists: @@ -248,7 +224,6 @@ def do_it( max_as = grid_orders_filtered[-1][0] orders_list = [(de, min_al, 0, 0) for de in range(min_as, max_as + 1)] # create an empty grid and add the rescaled order - order_to_update = (order_to_update, min_al, 0, 0) new_order_grid = None for i, as_order in enumerate(orders_list): order_grid = construct_new_order( @@ -270,44 +245,50 @@ def do_it( new_grid.write_lz4(target_grid_path) -def filter_k_factors(pigrid, centrals_kfactor): - """Filter the centrals k-factors according to their length compared to the number of bins of the grid.""" - centrals_kfactor_filtered = np.array([]) - if pigrid.bins() == len(centrals_kfactor): - rich.print("[orange] The number of bins match the length of the k-factor.") - centrals_kfactor_filtered = centrals_kfactor - elif pigrid.bins() < len(centrals_kfactor): +def filter_kfactor(grid, centrals_kfactor): + """Filter the centrals k-factors according to their length compared to the number of bins of the grid. + + Parameters + ---------- + grid: pineappl.grid + loaded grid + centrals_kfactor: list + list of kfactor for each point + """ + if grid.bins() == len(centrals_kfactor): + rich.print("[green] The number of bins match the length of the k-factor.") + return centrals_kfactor + if grid.bins() < len(centrals_kfactor): rich.print( "[yellow] The number of bins is less than the length of the k-factor." ) if not all(elem == centrals_kfactor[0] for elem in centrals_kfactor): # This case is actually wrong. raise ValueError("KFactor contains too many different values.") - centrals_kfactor_filtered = centrals_kfactor + return centrals_kfactor + + rich.print("[yellow] The number of bins is more than the length of the k-factor.") + + # This is the last case in which grid.bins() > len(centrals_kfactor) + # Note that sometimes there are more bins in the grid than in the kfactor file - + # this is not a problem because in those cases either all kfactor values are the + # same (thus there is no doubt about whether we have the correct one) or the + # non-exisiting kfactor would be multiplied by bins corresponding to all '0' in the + # grid. + # Let's check if we are in the first or second case + centrals_kfactor_filtered = [] + if len(np.unique(centrals_kfactor)) == 1: + # In this case I just need to add more elements to the kfactor + for _num in range(grid.bins()): + centrals_kfactor_filtered.append( + centrals_kfactor_filtered, centrals_kfactor[0] + ) else: - rich.print( - "[yellow] The number of bins is more than the length of the k-factor." - ) - - # This is the last case in which grid.bins() > len(centrals_kfactor) - - # Note that sometimes there are more bins in the grid than in the kfactor file - - # this is not a problem because in those cases either all kfactor values are the - # same (thus there is no doubt about whether we have the correct one) or the - # non-exisiting kfactor would be multiplied by bins corresponding to all '0' in the - # grid. - # Let's check if we are in the first or second case - if len(np.unique(centrals_kfactor)) == 1: - # In this case I just need to add more elements to the kfactor - for _num in range(pigrid.bins()): - centrals_kfactor_filtered = np.append( - centrals_kfactor_filtered, centrals_kfactor[0] - ) - else: - # In this case this means that the missing entries will multiply zero subgrids so we can just add 0s - for _num in range(pigrid.bins()): - centrals_kfactor_filtered = np.append(centrals_kfactor_filtered, 0.0) - return centrals_kfactor_filtered + # In this case this means that the missing entries will + # multiply zero subgrids so we can just add 0s + for _num in range(grid.bins()): + centrals_kfactor_filtered.append(centrals_kfactor_filtered, 0.0) + return np.array(centrals_kfactor_filtered) def compute_k_factor_grid( @@ -355,7 +336,7 @@ def compute_k_factor_grid( current_grid = pineappl.grid.Grid.read(grids_folder / grid_name) central_kfactor, pdf_set = read_kfactor(cfac_path) - central_kfactor_filtered = filter_k_factors(current_grid, central_kfactor) + central_kfactor_filtered = filter_kfactor(current_grid, central_kfactor) alphas = lhapdf.mkAlphaS(pdf_set) do_it( From 7d04323f752603018795535497fc398e5af175f9 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Mon, 18 Mar 2024 19:21:26 +0100 Subject: [PATCH 18/35] second round of updates --- src/pineko/kfactor.py | 6 ++---- tests/test_kfactor.py | 12 ++++++------ 2 files changed, 8 insertions(+), 10 deletions(-) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 01c3c9e1..8bcaec75 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -280,14 +280,12 @@ def filter_kfactor(grid, centrals_kfactor): if len(np.unique(centrals_kfactor)) == 1: # In this case I just need to add more elements to the kfactor for _num in range(grid.bins()): - centrals_kfactor_filtered.append( - centrals_kfactor_filtered, centrals_kfactor[0] - ) + centrals_kfactor_filtered.append(centrals_kfactor[0]) else: # In this case this means that the missing entries will # multiply zero subgrids so we can just add 0s for _num in range(grid.bins()): - centrals_kfactor_filtered.append(centrals_kfactor_filtered, 0.0) + centrals_kfactor_filtered.append(0.0) return np.array(centrals_kfactor_filtered) diff --git a/tests/test_kfactor.py b/tests/test_kfactor.py index 0db2c533..e1da3c4a 100644 --- a/tests/test_kfactor.py +++ b/tests/test_kfactor.py @@ -49,25 +49,25 @@ def test_compute_scale_factor(): ) -def test_filter_k_factors(): +def test_filter_kfactors(): fakegrid = FakeGrid(3) # This is the case in which kfactor lenght matches with number of bins np.testing.assert_allclose( - kfactor.filter_k_factors(fakegrid, [1.0, 1.2, 1.3]), [1.0, 1.2, 1.3] + kfactor.filter_kfactor(fakegrid, [1.0, 1.2, 1.3]), [1.0, 1.2, 1.3] ) # This is the case in which kfactor lenght > number of bins and kfactors are all the same np.testing.assert_allclose( - kfactor.filter_k_factors(fakegrid, [1.1, 1.1, 1.1, 1.1, 1.1]), + kfactor.filter_kfactor(fakegrid, [1.1, 1.1, 1.1, 1.1, 1.1]), [1.1, 1.1, 1.1, 1.1, 1.1], ) # This is the case in which kfactor lenght < number of bins and kfactors are all the same np.testing.assert_allclose( - kfactor.filter_k_factors(fakegrid, [1.1, 1.1]), [1.1, 1.1, 1.1] + kfactor.filter_kfactor(fakegrid, [1.1, 1.1]), [1.1, 1.1, 1.1] ) # This is the case in which kfactor lenght < number of bins and kfactors are not all the same np.testing.assert_allclose( - kfactor.filter_k_factors(fakegrid, [1.1, 1.3]), [0.0, 0.0, 0.0] + kfactor.filter_kfactor(fakegrid, [1.1, 1.3]), [0.0, 0.0, 0.0] ) with pytest.raises(ValueError): # This is the case in which kfactor lenght > number of bins and kfactors are not all the same - kfactor.filter_k_factors(fakegrid, [1.1, 1.2, 1.1, 1.7, 1.1]) + kfactor.filter_kfactor(fakegrid, [1.1, 1.2, 1.1, 1.7, 1.1]) From 55e015d7f60753c0982d059cbfc6fb4c32c37aab Mon Sep 17 00:00:00 2001 From: Felix Hekhorn Date: Tue, 19 Mar 2024 13:37:17 +0200 Subject: [PATCH 19/35] Rework kfactors.to_list --- src/pineko/kfactor.py | 42 ++++++++++++++++++++---------------------- tests/test_kfactor.py | 33 +++++++++++++++------------------ 2 files changed, 35 insertions(+), 40 deletions(-) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 8bcaec75..47447e2b 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -1,6 +1,7 @@ """Module to include QCD K-factors in grids.""" import io +from collections.abc import Collection import numpy as np import pineappl @@ -245,27 +246,29 @@ def do_it( new_grid.write_lz4(target_grid_path) -def filter_kfactor(grid, centrals_kfactor): - """Filter the centrals k-factors according to their length compared to the number of bins of the grid. +def to_list(grid, central_kfactors: Collection[float]) -> Collection[float]: + """Cast the centrals k-factors to the correct length. + + Apply a normalization according to the length compared to the number of bins of the grid. Parameters ---------- - grid: pineappl.grid - loaded grid + grid: pineappl.grid.Grid + grid centrals_kfactor: list list of kfactor for each point """ - if grid.bins() == len(centrals_kfactor): - rich.print("[green] The number of bins match the length of the k-factor.") - return centrals_kfactor - if grid.bins() < len(centrals_kfactor): + if grid.bins() == len(central_kfactors): + rich.print("The number of bins match the length of the k-factor.") + return central_kfactors + if grid.bins() < len(central_kfactors): rich.print( "[yellow] The number of bins is less than the length of the k-factor." ) - if not all(elem == centrals_kfactor[0] for elem in centrals_kfactor): + if not len(np.unique(central_kfactors)) == 1: # This case is actually wrong. - raise ValueError("KFactor contains too many different values.") - return centrals_kfactor + raise ValueError("k-factor contains too many different values.") + return central_kfactors rich.print("[yellow] The number of bins is more than the length of the k-factor.") @@ -276,17 +279,12 @@ def filter_kfactor(grid, centrals_kfactor): # non-exisiting kfactor would be multiplied by bins corresponding to all '0' in the # grid. # Let's check if we are in the first or second case - centrals_kfactor_filtered = [] - if len(np.unique(centrals_kfactor)) == 1: + if len(np.unique(central_kfactors)) == 1: # In this case I just need to add more elements to the kfactor - for _num in range(grid.bins()): - centrals_kfactor_filtered.append(centrals_kfactor[0]) - else: - # In this case this means that the missing entries will - # multiply zero subgrids so we can just add 0s - for _num in range(grid.bins()): - centrals_kfactor_filtered.append(0.0) - return np.array(centrals_kfactor_filtered) + return np.full(grid.bins(), central_kfactors[0]) + # In this case this means that the missing entries will + # multiply zero subgrids so we can just add 0s + return np.full(grid.bins(), 0) def compute_k_factor_grid( @@ -334,7 +332,7 @@ def compute_k_factor_grid( current_grid = pineappl.grid.Grid.read(grids_folder / grid_name) central_kfactor, pdf_set = read_kfactor(cfac_path) - central_kfactor_filtered = filter_kfactor(current_grid, central_kfactor) + central_kfactor_filtered = to_list(current_grid, central_kfactor) alphas = lhapdf.mkAlphaS(pdf_set) do_it( diff --git a/tests/test_kfactor.py b/tests/test_kfactor.py index e1da3c4a..095b6802 100644 --- a/tests/test_kfactor.py +++ b/tests/test_kfactor.py @@ -49,25 +49,22 @@ def test_compute_scale_factor(): ) -def test_filter_kfactors(): +def test_to_list(): fakegrid = FakeGrid(3) - # This is the case in which kfactor lenght matches with number of bins + # default: kfactor length matches with number of bins + k = [1.0, 1.2, 1.3] + np.testing.assert_allclose(kfactor.to_list(fakegrid, k), k) + # kfactor length > number of bins and kfactors are all the same + # having too much kfactors is fine np.testing.assert_allclose( - kfactor.filter_kfactor(fakegrid, [1.0, 1.2, 1.3]), [1.0, 1.2, 1.3] - ) - # This is the case in which kfactor lenght > number of bins and kfactors are all the same - np.testing.assert_allclose( - kfactor.filter_kfactor(fakegrid, [1.1, 1.1, 1.1, 1.1, 1.1]), - [1.1, 1.1, 1.1, 1.1, 1.1], - ) - # This is the case in which kfactor lenght < number of bins and kfactors are all the same - np.testing.assert_allclose( - kfactor.filter_kfactor(fakegrid, [1.1, 1.1]), [1.1, 1.1, 1.1] - ) - # This is the case in which kfactor lenght < number of bins and kfactors are not all the same - np.testing.assert_allclose( - kfactor.filter_kfactor(fakegrid, [1.1, 1.3]), [0.0, 0.0, 0.0] + kfactor.to_list(fakegrid, [1.1] * 5), + [1.1] * 5, ) + # kfactor length < number of bins and kfactors are all the same + # we know how to extrapolate + np.testing.assert_allclose(kfactor.to_list(fakegrid, [1.1] * 2), [1.1] * 3) + # kfactor length < number of bins and kfactors are not all the same + np.testing.assert_allclose(kfactor.to_list(fakegrid, [1.1, 1.3]), [0.0, 0.0, 0.0]) with pytest.raises(ValueError): - # This is the case in which kfactor lenght > number of bins and kfactors are not all the same - kfactor.filter_kfactor(fakegrid, [1.1, 1.2, 1.1, 1.7, 1.1]) + # kfactor length > number of bins and kfactors are not all the same + kfactor.to_list(fakegrid, [1.1, 1.2, 1.1, 1.7, 1.1]) From 82e4657f552d832b66e4ae391c24634e4382b54b Mon Sep 17 00:00:00 2001 From: Felix Hekhorn Date: Tue, 19 Mar 2024 13:39:54 +0200 Subject: [PATCH 20/35] Drop type hints from kfactors.to_list --- src/pineko/kfactor.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 47447e2b..5de17b21 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -1,7 +1,6 @@ """Module to include QCD K-factors in grids.""" import io -from collections.abc import Collection import numpy as np import pineappl @@ -246,7 +245,7 @@ def do_it( new_grid.write_lz4(target_grid_path) -def to_list(grid, central_kfactors: Collection[float]) -> Collection[float]: +def to_list(grid, central_kfactors): """Cast the centrals k-factors to the correct length. Apply a normalization according to the length compared to the number of bins of the grid. From 7ea62d7403faf8f2731493dc4d9b54fb681f2cf2 Mon Sep 17 00:00:00 2001 From: Giacomo Magni <39065935+giacomomagni@users.noreply.github.com> Date: Tue, 19 Mar 2024 12:41:02 +0100 Subject: [PATCH 21/35] Update src/pineko/cli/kfactor.py Co-authored-by: Andrea Barontini --- src/pineko/cli/kfactor.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/pineko/cli/kfactor.py b/src/pineko/cli/kfactor.py index a1678405..e3cace03 100644 --- a/src/pineko/cli/kfactor.py +++ b/src/pineko/cli/kfactor.py @@ -14,7 +14,7 @@ @click.argument("yamldb_file", type=click.Path(exists=True)) @click.argument("target_folder", type=click.Path(exists=True)) @click.argument("pto_to_update", type=int) -@click.option("--order_exists", is_flag=True, help="Owerwrite an existing order.") +@click.option("--order_exists", is_flag=True, help="Overwrite an existing order.") def k_factor_inclusion( grids_folder, kfactor_folder, From 5a31fc0674d7fbc004a851f5635af0432bd0ab86 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Tue, 19 Mar 2024 12:59:25 +0100 Subject: [PATCH 22/35] more fixes from review suggestions --- docs/source/theory/kfactors.rst | 19 ++++++++++++------- src/pineko/kfactor.py | 4 ++-- 2 files changed, 14 insertions(+), 9 deletions(-) diff --git a/docs/source/theory/kfactors.rst b/docs/source/theory/kfactors.rst index 08b93070..e939283f 100644 --- a/docs/source/theory/kfactors.rst +++ b/docs/source/theory/kfactors.rst @@ -6,14 +6,19 @@ as a proper order in a grid. The usage is the following:: pineko kfactor GRIDS_FOLDER KFACTOR_FOLDER YAMLDB_FILE TARGET_FOLDER PTO_TO_UPDATE [--order_exists] -where ``GRIDS_FOLDER`` is the folder containing the grids to update, ``KFACTOR_FOLDER`` is the folder -containing the kfactor files, ``YAMLDB_FILE`` is the path to the yamldb file of the requested dataset, -``TARGET_FOLDER`` is the folder where the new updated grids is going to be saved. -``PTO_TO_UPDATE`` is the :math:`\alpha_s` perturbative order to update or create, with the convention that -``LO=1``, ``NLO=2`` and so on, irrespectively to the powers of alpha_s. -Note that only pure QCD kfactors are taken into account. -If the flag ``order_exists`` is passed the kfactor is applied to the specified perturbative order. +where + +where +- ``GRIDS_FOLDER`` is the folder containing the grids to update, +- ``KFACTOR_FOLDER`` is the folder containing the kfactor files, +- ``YAMLDB_FILE`` is the path to the yamldb file of the requested dataset, +- ``TARGET_FOLDER`` is the folder where the new updated grids is going to be saved, +- ``PTO_TO_UPDATE`` is the :math:`\alpha_s` perturbative order to update or create, + with the convention that ``LO=1``, ``NLO=2`` and so on, irrespectively to the powers of :math:`\alpha_s`. +- ``--order_exists`` is a flag used to apply the kfactor to the specified perturbative order, insead of the next. + +Note that only pure QCD kfactors are taken into account. For example to add the NNLO in a grid containing at most NLO one has to select ``PTO_TO_UPDATE=2``; nn the other hand to reweight the NNLO present in a grid with a kfactor, one should do ``PTO_TO_UPDATE=2 --order_exists``. diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 5de17b21..fa4d44f3 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -101,7 +101,7 @@ def scale_subgrid(subgrid, scales_array): return scaled_subgrid -def is_already_in(to_check, list_orders): +def is_already_in_no_logs(to_check, list_orders): """Check if the requested order is already in the grid.""" for order in list_orders: if ( @@ -210,7 +210,7 @@ def do_it( order_to_update = (order_to_update, min_al, 0, 0) # check if the order is already there - is_in = is_already_in(order_to_update, grid_orders_filtered) + is_in = is_already_in_no_logs(order_to_update, grid_orders_filtered) # Prevent summing orders incoherently if is_in and not order_exists: From 53f939ae1d2f485b5928ae88dbbfbe063f21eb20 Mon Sep 17 00:00:00 2001 From: Giacomo Magni <39065935+giacomomagni@users.noreply.github.com> Date: Tue, 19 Mar 2024 13:06:33 +0100 Subject: [PATCH 23/35] Update docs/source/theory/kfactors.rst Co-authored-by: Felix Hekhorn --- docs/source/theory/kfactors.rst | 2 -- 1 file changed, 2 deletions(-) diff --git a/docs/source/theory/kfactors.rst b/docs/source/theory/kfactors.rst index e939283f..7bc5b2cf 100644 --- a/docs/source/theory/kfactors.rst +++ b/docs/source/theory/kfactors.rst @@ -8,8 +8,6 @@ as a proper order in a grid. The usage is the following:: where -where - - ``GRIDS_FOLDER`` is the folder containing the grids to update, - ``KFACTOR_FOLDER`` is the folder containing the kfactor files, - ``YAMLDB_FILE`` is the path to the yamldb file of the requested dataset, From b62249b9271626b2ab78f71235e3939676758df5 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Tue, 19 Mar 2024 13:14:08 +0100 Subject: [PATCH 24/35] make kfactor names more uniform --- benchmarks/bench_cli.py | 2 +- benchmarks/bench_kfactor.py | 4 ++-- docs/source/overview/running.rst | 2 +- docs/source/theory/kfactors.rst | 4 ++-- src/pineko/cli/kfactor.py | 6 +++--- src/pineko/kfactor.py | 26 +++++++++++++------------- 6 files changed, 22 insertions(+), 22 deletions(-) diff --git a/benchmarks/bench_cli.py b/benchmarks/bench_cli.py index ca518cb4..b66a735c 100644 --- a/benchmarks/bench_cli.py +++ b/benchmarks/bench_cli.py @@ -147,4 +147,4 @@ def benchmark_kfactor_cli(test_files, tmp_path): ordr_to_update, ], ) - assert "The number of bins match the length of the k-factor" in res.output + assert "The number of bins match the length of the kfactor" in res.output diff --git a/benchmarks/bench_kfactor.py b/benchmarks/bench_kfactor.py index 575e8d83..2f5678b5 100644 --- a/benchmarks/bench_kfactor.py +++ b/benchmarks/bench_kfactor.py @@ -9,7 +9,7 @@ def benchmark_kfactor_inclusion(test_files, tmp_path, test_pdf, lhapdf_path): fake_yaml_path = test_files / "data" / "yamldb" / "ATLAS_TTB_FAKE.yaml" pto_to_update = 3 # here we want to update NNLO pdf_name = "NNPDF40_nnlo_as_01180" - kfactor.compute_k_factor_grid( + kfactor.apply_to_dataset( test_files / "data" / "grids" / "400", test_files / "data" / "kfactors", fake_yaml_path, @@ -46,7 +46,7 @@ def benchmark_kfactor_inclusion(test_files, tmp_path, test_pdf, lhapdf_path): np.array([], dtype=bool), sv_list, ).reshape(bin_number, len(sv_list)) - centrals_kfactor, _ = kfactor.read_kfactor( + centrals_kfactor, _ = kfactor.read_from_file( test_files / "data" / "kfactors" / "CF_QCD_ATLAS_TTB_8TEV_LJ_TRAP.dat" ) rtol = 1.0e-15 diff --git a/docs/source/overview/running.rst b/docs/source/overview/running.rst index 0251d0e8..dc590ab8 100644 --- a/docs/source/overview/running.rst +++ b/docs/source/overview/running.rst @@ -63,7 +63,7 @@ handy utility functions: - applying the :doc:`FONLL prescription` - applying the :doc:`scale variation prescription` -- burning the :doc:`K-factor` into grids +- burning the :doc:`Kfactor` into grids Checking the grids diff --git a/docs/source/theory/kfactors.rst b/docs/source/theory/kfactors.rst index 7bc5b2cf..58104468 100644 --- a/docs/source/theory/kfactors.rst +++ b/docs/source/theory/kfactors.rst @@ -1,4 +1,4 @@ -K-Factors +Kfactors ========= Another useful tool that `pineko` includes is ``pineko kfactor`` which allows the embedding of a kfactor @@ -6,7 +6,7 @@ as a proper order in a grid. The usage is the following:: pineko kfactor GRIDS_FOLDER KFACTOR_FOLDER YAMLDB_FILE TARGET_FOLDER PTO_TO_UPDATE [--order_exists] -where +where: - ``GRIDS_FOLDER`` is the folder containing the grids to update, - ``KFACTOR_FOLDER`` is the folder containing the kfactor files, diff --git a/src/pineko/cli/kfactor.py b/src/pineko/cli/kfactor.py index e3cace03..86cc77eb 100644 --- a/src/pineko/cli/kfactor.py +++ b/src/pineko/cli/kfactor.py @@ -15,7 +15,7 @@ @click.argument("target_folder", type=click.Path(exists=True)) @click.argument("pto_to_update", type=int) @click.option("--order_exists", is_flag=True, help="Overwrite an existing order.") -def k_factor_inclusion( +def kfactor_inclusion( grids_folder, kfactor_folder, yamldb_file, @@ -23,12 +23,12 @@ def k_factor_inclusion( pto_to_update, order_exists, ): - """Construct new grid with k_factor included.""" + """Construct new grid with kfactor included.""" grids_folder = pathlib.Path(grids_folder) kfactor_folder = pathlib.Path(kfactor_folder) yamldb_file = pathlib.Path(yamldb_file) target_folder = pathlib.Path(target_folder) - kfactor.compute_k_factor_grid( + kfactor.apply_to_dataset( grids_folder, kfactor_folder, yamldb_file, diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index fa4d44f3..308f27bf 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -1,4 +1,4 @@ -"""Module to include QCD K-factors in grids.""" +"""Module to include QCD kfactors in grids.""" import io @@ -14,8 +14,8 @@ DEFAULT_PDF_SET = "NNPDF40_nnlo_as_01180" -def read_kfactor(kfactor_path): - """Read the k-factor and returns the central values and the pdfset used to compute it.""" +def read_from_file(kfactor_path): + """Read the kfactor and returns the central values and the pdfset used to compute it.""" with open(kfactor_path, encoding="utf-8") as f: stars = f.readline() if not stars.startswith("*"): @@ -33,7 +33,7 @@ def read_kfactor(kfactor_path): data = data.reshape(-1, 2) central_value = data[:, 0] pdf_set = description.split(sep="PDFset:")[-1].split(sep="\n")[0].strip() - # If there is no PDF set in the k-factor, a default PDF set will be used + # If there is no PDF set in the kfactor, a default PDF set will be used # If the PDF set written in the file is not an actual lhapdf PDF, it will # raise an error. if len(pdf_set) == 0: @@ -60,7 +60,7 @@ def compute_scale_factor( mu2: float energy scale squared of the bin central_kfactor: list(float) - list of the centrals k-factors + list of the centrals kfactors bin_index: int index of the bin alphas: lhapdf.AlphaS @@ -246,7 +246,7 @@ def do_it( def to_list(grid, central_kfactors): - """Cast the centrals k-factors to the correct length. + """Cast the centrals kfactors to the correct length. Apply a normalization according to the length compared to the number of bins of the grid. @@ -258,18 +258,18 @@ def to_list(grid, central_kfactors): list of kfactor for each point """ if grid.bins() == len(central_kfactors): - rich.print("The number of bins match the length of the k-factor.") + rich.print("The number of bins match the length of the kfactor.") return central_kfactors if grid.bins() < len(central_kfactors): rich.print( - "[yellow] The number of bins is less than the length of the k-factor." + "[yellow] The number of bins is less than the length of the kfactor." ) if not len(np.unique(central_kfactors)) == 1: # This case is actually wrong. - raise ValueError("k-factor contains too many different values.") + raise ValueError("kfactor contains too many different values.") return central_kfactors - rich.print("[yellow] The number of bins is more than the length of the k-factor.") + rich.print("[yellow] The number of bins is more than the length of the kfactor.") # This is the last case in which grid.bins() > len(centrals_kfactor) # Note that sometimes there are more bins in the grid than in the kfactor file - @@ -286,7 +286,7 @@ def to_list(grid, central_kfactors): return np.full(grid.bins(), 0) -def compute_k_factor_grid( +def apply_to_dataset( grids_folder, kfactor_folder, yamldb_path, @@ -294,7 +294,7 @@ def compute_k_factor_grid( target_folder=None, order_exists=False, ): - """Include the k-factor in the grid in order to have its associated order in the grid itself. + """Include the kfactor in the grid in order to have its associated order in the grid itself. Parameters ---------- @@ -330,7 +330,7 @@ def compute_k_factor_grid( grid_name = f"{grid}.pineappl.lz4" current_grid = pineappl.grid.Grid.read(grids_folder / grid_name) - central_kfactor, pdf_set = read_kfactor(cfac_path) + central_kfactor, pdf_set = read_from_file(cfac_path) central_kfactor_filtered = to_list(current_grid, central_kfactor) alphas = lhapdf.mkAlphaS(pdf_set) From 4665cadc6dfd9f262b5b490504159becbe3656fa Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Tue, 19 Mar 2024 13:15:37 +0100 Subject: [PATCH 25/35] do_it -> apply_to_grid --- src/pineko/kfactor.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 308f27bf..15d65ea3 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -168,7 +168,7 @@ def construct_new_order(grid, order, order_to_update, central_kfactor, alphas): return new_grid -def do_it( +def apply_to_grid( central_kfactor, alphas, grid, @@ -334,7 +334,7 @@ def apply_to_dataset( central_kfactor_filtered = to_list(current_grid, central_kfactor) alphas = lhapdf.mkAlphaS(pdf_set) - do_it( + apply_to_grid( central_kfactor_filtered, alphas, current_grid, From 21572f8492360fe951eb0920810fb1a218430d41 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Tue, 19 Mar 2024 13:19:33 +0100 Subject: [PATCH 26/35] clarification on PTO_TO_UPDATE --- docs/source/theory/kfactors.rst | 2 ++ 1 file changed, 2 insertions(+) diff --git a/docs/source/theory/kfactors.rst b/docs/source/theory/kfactors.rst index 58104468..2c9593af 100644 --- a/docs/source/theory/kfactors.rst +++ b/docs/source/theory/kfactors.rst @@ -14,6 +14,8 @@ where: - ``TARGET_FOLDER`` is the folder where the new updated grids is going to be saved, - ``PTO_TO_UPDATE`` is the :math:`\alpha_s` perturbative order to update or create, with the convention that ``LO=1``, ``NLO=2`` and so on, irrespectively to the powers of :math:`\alpha_s`. + Note also that this differs from the conventions by the NNPDF collaboration, + but it is consistent with the pineappl convention. - ``--order_exists`` is a flag used to apply the kfactor to the specified perturbative order, insead of the next. Note that only pure QCD kfactors are taken into account. From 25be7c4c1df7fab88905c5c2fc788acb39dd3d80 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Tue, 19 Mar 2024 13:27:09 +0100 Subject: [PATCH 27/35] drop target_folder=None --- benchmarks/bench_kfactor.py | 2 +- docs/source/theory/kfactors.rst | 2 +- src/pineko/kfactor.py | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/benchmarks/bench_kfactor.py b/benchmarks/bench_kfactor.py index 2f5678b5..460de704 100644 --- a/benchmarks/bench_kfactor.py +++ b/benchmarks/bench_kfactor.py @@ -14,7 +14,7 @@ def benchmark_kfactor_inclusion(test_files, tmp_path, test_pdf, lhapdf_path): test_files / "data" / "kfactors", fake_yaml_path, pto_to_update, - target_folder=tmp_path, + tmp_path, ) pluskfactor_grid_path = tmp_path / "ATLAS_TTB_8TEV_LJ_TRAP.pineappl.lz4" with lhapdf_path(test_pdf): diff --git a/docs/source/theory/kfactors.rst b/docs/source/theory/kfactors.rst index 2c9593af..d4bc64f9 100644 --- a/docs/source/theory/kfactors.rst +++ b/docs/source/theory/kfactors.rst @@ -14,7 +14,7 @@ where: - ``TARGET_FOLDER`` is the folder where the new updated grids is going to be saved, - ``PTO_TO_UPDATE`` is the :math:`\alpha_s` perturbative order to update or create, with the convention that ``LO=1``, ``NLO=2`` and so on, irrespectively to the powers of :math:`\alpha_s`. - Note also that this differs from the conventions by the NNPDF collaboration, + Note also that this differs from the conventions by the NNPDF collaboration, but it is consistent with the pineappl convention. - ``--order_exists`` is a flag used to apply the kfactor to the specified perturbative order, insead of the next. diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 15d65ea3..e1b2dfc0 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -291,7 +291,7 @@ def apply_to_dataset( kfactor_folder, yamldb_path, pto_to_update, - target_folder=None, + target_folder, order_exists=False, ): """Include the kfactor in the grid in order to have its associated order in the grid itself. From 3d067f065da111e8420198adf337df84c2c22d99 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Tue, 19 Mar 2024 13:40:31 +0100 Subject: [PATCH 28/35] more typos here and there --- benchmarks/bench_cli.py | 4 ++-- src/pineko/kfactor.py | 12 ++++++------ src/pineko/scale_variations.py | 6 +++--- 3 files changed, 11 insertions(+), 11 deletions(-) diff --git a/benchmarks/bench_cli.py b/benchmarks/bench_cli.py index b66a735c..2ffd6b4c 100644 --- a/benchmarks/bench_cli.py +++ b/benchmarks/bench_cli.py @@ -134,7 +134,7 @@ def benchmark_kfactor_cli(test_files, tmp_path): grid_folder = test_files / "data" / "grids" / "400" kfolder = test_files / "data" / "kfactors" fake_yaml_path = test_files / "data" / "yamldb" / "ATLAS_TTB_FAKE.yaml" - ordr_to_update = "3" + order_to_update = "3" target_path = tmp_path res = runner.invoke( command, @@ -144,7 +144,7 @@ def benchmark_kfactor_cli(test_files, tmp_path): str(kfolder), str(fake_yaml_path), str(target_path), - ordr_to_update, + order_to_update, ], ) assert "The number of bins match the length of the kfactor" in res.output diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index e1b2dfc0..190cf037 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -134,11 +134,11 @@ def construct_new_order(grid, order, order_to_update, central_kfactor, alphas): grid_orders = orders_as_tuple(grid) new_grid = scale_variations.initialize_new_grid(grid, order_to_update) - orginal_order_index = grid_orders.index(order) + original_order_index = grid_orders.index(order) for lumi_index in range(len(new_grid.lumi())): for bin_index in range(grid.bins()): - subgrid = grid.subgrid(orginal_order_index, bin_index, lumi_index) + subgrid = grid.subgrid(original_order_index, bin_index, lumi_index) mu2_ren_grid = [mu2.ren for mu2 in subgrid.mu2_grid()] scales_array = [ compute_scale_factor( @@ -275,7 +275,7 @@ def to_list(grid, central_kfactors): # Note that sometimes there are more bins in the grid than in the kfactor file - # this is not a problem because in those cases either all kfactor values are the # same (thus there is no doubt about whether we have the correct one) or the - # non-exisiting kfactor would be multiplied by bins corresponding to all '0' in the + # non-existing kfactor would be multiplied by bins corresponding to all '0' in the # grid. # Let's check if we are in the first or second case if len(np.unique(central_kfactors)) == 1: @@ -323,14 +323,14 @@ def apply_to_dataset( # loop on grids for grid in grid_list: # TODO: generalize for other type of kfactors ? - cfac_path = kfactor_folder / f"CF_QCD_{grid}.dat" + kfactor_path = kfactor_folder / f"CF_QCD_{grid}.dat" if "ATLASDY2D8TEV" in grid: - cfac_path = kfactor_folder / f"CF_QCDEWK_{grid}.dat" + kfactor_path = kfactor_folder / f"CF_QCDEWK_{grid}.dat" grid_name = f"{grid}.pineappl.lz4" current_grid = pineappl.grid.Grid.read(grids_folder / grid_name) - central_kfactor, pdf_set = read_from_file(cfac_path) + central_kfactor, pdf_set = read_from_file(kfactor_path) central_kfactor_filtered = to_list(current_grid, central_kfactor) alphas = lhapdf.mkAlphaS(pdf_set) diff --git a/src/pineko/scale_variations.py b/src/pineko/scale_variations.py index 479d6279..2de81993 100644 --- a/src/pineko/scale_variations.py +++ b/src/pineko/scale_variations.py @@ -190,13 +190,13 @@ def construct_and_dump_order_exists_grid(ori_grid, to_construct_order): new_grid = pineappl.grid.Grid.create( lumi_grid, new_orders, bin_limits, subgrid_params ) - orders_indeces = [ori_grid_orders.index(order.as_tuple()) for order in new_orders] - for order_index in orders_indeces: + orders_indices = [ori_grid_orders.index(order.as_tuple()) for order in new_orders] + for order_index in orders_indices: for lumi_index in range(len(lumi_grid)): for bin_index in range(ori_grid.bins()): extr_subgrid = ori_grid.subgrid(order_index, bin_index, lumi_index) new_grid.set_subgrid( - orders_indeces.index(order_index), + orders_indices.index(order_index), bin_index, lumi_index, extr_subgrid, From 0a27fbe724edc2dfe0f7f0ab982c330310f39918 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Tue, 26 Mar 2024 17:09:08 +0100 Subject: [PATCH 29/35] run poetry lock --- poetry.lock | 426 +++++++++++++++++++++++++++++++++------------------- 1 file changed, 268 insertions(+), 158 deletions(-) diff --git a/poetry.lock b/poetry.lock index 4e90b3bc..b6c3708f 100644 --- a/poetry.lock +++ b/poetry.lock @@ -1,5 +1,16 @@ # This file is automatically @generated by Poetry 1.6.1 and should not be changed by hand. +[[package]] +name = "absl-py" +version = "2.1.0" +description = "Abseil Python Common Libraries, see https://github.com/abseil/abseil-py." +optional = true +python-versions = ">=3.7" +files = [ + {file = "absl-py-2.1.0.tar.gz", hash = "sha256:7820790efbb316739cde8b4e19357243fc3608a152024288513dd968d7d959ff"}, + {file = "absl_py-2.1.0-py3-none-any.whl", hash = "sha256:526a04eadab8b4ee719ce68f204172ead1027549089702d99b9059f129ff1308"}, +] + [[package]] name = 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hash = "sha256:d483d2cdf104e7c9fa60c544d92981f12ad66a457afae824d146093b8c294c54"}, From 41a4649d9d42f29f1b6c0466606f4a918218cce2 Mon Sep 17 00:00:00 2001 From: Giacomo Magni Date: Mon, 10 Jun 2024 20:52:11 +0200 Subject: [PATCH 31/35] make kfactors working again with nnpdf settings --- docs/source/theory/kfactors.rst | 6 +-- src/pineko/cli/kfactor.py | 19 ++++----- src/pineko/kfactor.py | 71 ++++++++++++++++++--------------- src/pineko/scale_variations.py | 4 +- 4 files changed, 53 insertions(+), 47 deletions(-) diff --git a/docs/source/theory/kfactors.rst b/docs/source/theory/kfactors.rst index d4bc64f9..02db4758 100644 --- a/docs/source/theory/kfactors.rst +++ b/docs/source/theory/kfactors.rst @@ -4,13 +4,13 @@ Kfactors Another useful tool that `pineko` includes is ``pineko kfactor`` which allows the embedding of a kfactor as a proper order in a grid. The usage is the following:: - pineko kfactor GRIDS_FOLDER KFACTOR_FOLDER YAMLDB_FILE TARGET_FOLDER PTO_TO_UPDATE [--order_exists] + pineko kfactor THEORY_ID DATASET KFACTOR_FOLDER TARGET_FOLDER PTO_TO_UPDATE [--order_exists] where: -- ``GRIDS_FOLDER`` is the folder containing the grids to update, +- ``THEORY_ID`` is the theory ID of the source grid, +- ``DATASET`` is the dataset name, - ``KFACTOR_FOLDER`` is the folder containing the kfactor files, -- ``YAMLDB_FILE`` is the path to the yamldb file of the requested dataset, - ``TARGET_FOLDER`` is the folder where the new updated grids is going to be saved, - ``PTO_TO_UPDATE`` is the :math:`\alpha_s` perturbative order to update or create, with the convention that ``LO=1``, ``NLO=2`` and so on, irrespectively to the powers of :math:`\alpha_s`. diff --git a/src/pineko/cli/kfactor.py b/src/pineko/cli/kfactor.py index 86cc77eb..2ebe712b 100644 --- a/src/pineko/cli/kfactor.py +++ b/src/pineko/cli/kfactor.py @@ -5,33 +5,34 @@ import click from .. import kfactor -from ._base import command +from ._base import command, config_option, load_config @command.command("kfactor") -@click.argument("grids_folder", type=click.Path(exists=True)) +@config_option +@click.argument("theoryID", type=int) +@click.argument("dataset", type=str) @click.argument("kfactor_folder", type=click.Path(exists=True)) -@click.argument("yamldb_file", type=click.Path(exists=True)) @click.argument("target_folder", type=click.Path(exists=True)) @click.argument("pto_to_update", type=int) @click.option("--order_exists", is_flag=True, help="Overwrite an existing order.") def kfactor_inclusion( - grids_folder, + cfg, + theoryid, + dataset, kfactor_folder, - yamldb_file, target_folder, pto_to_update, order_exists, ): """Construct new grid with kfactor included.""" - grids_folder = pathlib.Path(grids_folder) + load_config(cfg) kfactor_folder = pathlib.Path(kfactor_folder) - yamldb_file = pathlib.Path(yamldb_file) target_folder = pathlib.Path(target_folder) kfactor.apply_to_dataset( - grids_folder, + theoryid, + dataset, kfactor_folder, - yamldb_file, pto_to_update, target_folder=target_folder, order_exists=order_exists, diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 190cf037..19ef26a1 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -8,7 +8,7 @@ import yaml from pineappl import import_only_subgrid -from . import scale_variations +from . import configs, fonll, scale_variations, utils from .scale_variations import orders_as_tuple DEFAULT_PDF_SET = "NNPDF40_nnlo_as_01180" @@ -136,7 +136,7 @@ def construct_new_order(grid, order, order_to_update, central_kfactor, alphas): new_grid = scale_variations.initialize_new_grid(grid, order_to_update) original_order_index = grid_orders.index(order) - for lumi_index in range(len(new_grid.lumi())): + for lumi_index in range(len(new_grid.channels())): for bin_index in range(grid.bins()): subgrid = grid.subgrid(original_order_index, bin_index, lumi_index) mu2_ren_grid = [mu2.ren for mu2 in subgrid.mu2_grid()] @@ -287,9 +287,9 @@ def to_list(grid, central_kfactors): def apply_to_dataset( - grids_folder, + theoryid, + dataset, kfactor_folder, - yamldb_path, pto_to_update, target_folder, order_exists=False, @@ -298,8 +298,10 @@ def apply_to_dataset( Parameters ---------- - grids_folder : pathlib.Path() - pineappl grids folder + theoryid : int + theory ID of the source grid + dataset : str + datset name kfactor_folder : pathlib.Path() kfactors folder yamldb_path : pathlib.Path() @@ -315,30 +317,33 @@ def apply_to_dataset( import lhapdf # pylint: disable=import-error,import-outside-toplevel # Extracting info from yaml file - with open(yamldb_path, encoding="utf-8") as f: - yamldict = yaml.safe_load(f) - - # loop on operands - for grid_list in yamldict["operands"]: - # loop on grids - for grid in grid_list: - # TODO: generalize for other type of kfactors ? - kfactor_path = kfactor_folder / f"CF_QCD_{grid}.dat" - if "ATLASDY2D8TEV" in grid: - kfactor_path = kfactor_folder / f"CF_QCDEWK_{grid}.dat" - - grid_name = f"{grid}.pineappl.lz4" - current_grid = pineappl.grid.Grid.read(grids_folder / grid_name) - - central_kfactor, pdf_set = read_from_file(kfactor_path) - central_kfactor_filtered = to_list(current_grid, central_kfactor) - alphas = lhapdf.mkAlphaS(pdf_set) - - apply_to_grid( - central_kfactor_filtered, - alphas, - current_grid, - pto_to_update, - target_folder / grid_name, - order_exists, - ) + grid_list = utils.read_grids_from_nnpdf(dataset, configs.configs) + if grid_list is None: + grid_list = fonll.grids_names( + configs.configs["paths"]["ymldb"] / f"{dataset}.yaml" + ) + + # loop on grids_name + for grid in grid_list: + # TODO: generalize for other type of kfactors ? + grid_name = grid.split(".")[0] + kfactor_path = kfactor_folder / f"CF_QCD_{grid_name}.dat" + if "ATLASDY2D8TEV" in grid: + kfactor_path = kfactor_folder / f"CF_QCDEWK_{grid_name}.dat" + + current_grid = pineappl.grid.Grid.read( + configs.configs["paths"]["grids"] / str(theoryid) / grid + ) + + central_kfactor, pdf_set = read_from_file(kfactor_path) + central_kfactor_filtered = to_list(current_grid, central_kfactor) + alphas = lhapdf.mkAlphaS(pdf_set) + + apply_to_grid( + central_kfactor_filtered, + alphas, + current_grid, + pto_to_update, + target_folder / grid, + order_exists, + ) diff --git a/src/pineko/scale_variations.py b/src/pineko/scale_variations.py index 2de81993..4d8f6444 100644 --- a/src/pineko/scale_variations.py +++ b/src/pineko/scale_variations.py @@ -105,7 +105,7 @@ def initialize_new_grid(grid, new_order): bin_limits = [ float(bin) for bin in range(grid.bins() + 1) ] # The +1 explanation is that n bins have n+1 bin limits, and range generates numbers from a half-open interval (range(n) generates n numbers). - lumi_grid = [pineappl.lumi.LumiEntry(mylum) for mylum in grid.lumi()] + lumi_grid = [pineappl.lumi.LumiEntry(mylum) for mylum in grid.channels()] subgrid_params = pineappl.subgrid.SubgridParams() new_order = [pineappl.grid.Order(*new_order)] # create new_grid with same lumi and bin_limits of the original grid but with new_order @@ -179,7 +179,7 @@ def construct_and_dump_order_exists_grid(ori_grid, to_construct_order): """ # TODO: can we make this function simpler ?? bin_limits = [float(bin) for bin in range(ori_grid.bins() + 1)] - lumi_grid = [pineappl.lumi.LumiEntry(mylum) for mylum in ori_grid.lumi()] + lumi_grid = [pineappl.lumi.LumiEntry(mylum) for mylum in ori_grid.channels()] subgrid_params = pineappl.subgrid.SubgridParams() ori_grid_orders = orders_as_tuple(ori_grid) new_orders = [ From 9fab164593e3f696192081d778a2a20484d0201a Mon Sep 17 00:00:00 2001 From: Giacomo Magni Date: Mon, 10 Jun 2024 20:57:10 +0200 Subject: [PATCH 32/35] exterminate yamldb --- src/pineko/kfactor.py | 2 -- 1 file changed, 2 deletions(-) diff --git a/src/pineko/kfactor.py b/src/pineko/kfactor.py index 19ef26a1..23320de7 100644 --- a/src/pineko/kfactor.py +++ b/src/pineko/kfactor.py @@ -304,8 +304,6 @@ def apply_to_dataset( datset name kfactor_folder : pathlib.Path() kfactors folder - yamldb_path : pathlib.Path() - path to the yaml file describing the dataset pto_to_update : int perturbative order to update: 1 = LO, 2 = NLO ... no matter which power of alpha_s it is. From a31449072b20afe8b5ffc76e8583a3f8cb9e5678 Mon Sep 17 00:00:00 2001 From: giacomomagni Date: Wed, 19 Jun 2024 09:14:12 +0200 Subject: [PATCH 33/35] update poetry lock --- poetry.lock | 720 +++++++++++++++++++++++++--------------------------- 1 file changed, 339 insertions(+), 381 deletions(-) diff --git a/poetry.lock b/poetry.lock index 843b04e2..19ffce99 100644 --- a/poetry.lock +++ b/poetry.lock @@ -1,4 +1,4 @@ -# This file is automatically @generated by Poetry 1.8.2 and should not be changed by hand. +# This file is automatically @generated by Poetry 1.6.1 and should not be changed by hand. 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"jaraco.itertools", "jaraco.test", "more-itertools", "pytest (>=6,!=8.1.*)", "pytest-checkdocs (>=2.4)", "pytest-cov", "pytest-enabler (>=2.2)", "pytest-ignore-flaky", "pytest-mypy", "pytest-ruff (>=0.2.1)"] [extras] docs = [] From 011ec6cb8f74d0b1cfce3c2861dd96f1ec7f56b8 Mon Sep 17 00:00:00 2001 From: Giacomo Magni Date: Wed, 21 Aug 2024 13:33:55 +0200 Subject: [PATCH 34/35] fix benchmarks --- benchmarks/bench_cli.py | 11 +++++++---- 1 file changed, 7 insertions(+), 4 deletions(-) diff --git a/benchmarks/bench_cli.py b/benchmarks/bench_cli.py index b32898c5..54b3ddec 100644 --- a/benchmarks/bench_cli.py +++ b/benchmarks/bench_cli.py @@ -131,18 +131,21 @@ def benchmark_gen_sv_cli(test_files, tmp_path): def benchmark_kfactor_cli(test_files, tmp_path): runner = CliRunner() - grid_folder = test_files / "data" / "grids" / "400" + conf_file = test_files / "pineko.toml" + theory_id = 400 + dataset = "ATLAS_TTB_FAKE" kfolder = test_files / "data" / "kfactors" - fake_yaml_path = test_files / "data" / "yamldb" / "ATLAS_TTB_FAKE.yaml" order_to_update = "3" target_path = tmp_path res = runner.invoke( command, [ "kfactor", - str(grid_folder), + "-c", + str(conf_file), + str(theory_id), + str(dataset), str(kfolder), - str(fake_yaml_path), str(target_path), order_to_update, ], From d33d2f9c321f566458962b428615c5bb59cce272 Mon Sep 17 00:00:00 2001 From: Giacomo Magni Date: Wed, 21 Aug 2024 13:45:05 +0200 Subject: [PATCH 35/35] other fix to benchmarks --- benchmarks/bench_kfactor.py | 11 +++++++---- docs/source/overview/running.rst | 2 +- 2 files changed, 8 insertions(+), 5 deletions(-) diff --git a/benchmarks/bench_kfactor.py b/benchmarks/bench_kfactor.py index d86d7b46..d562f018 100644 --- a/benchmarks/bench_kfactor.py +++ b/benchmarks/bench_kfactor.py @@ -2,17 +2,20 @@ import numpy as np import pineappl -from pineko import kfactor +from pineko import configs, kfactor def benchmark_kfactor_inclusion(test_files, tmp_path, test_pdf, lhapdf_path): - fake_yaml_path = test_files / "data" / "yamldb" / "ATLAS_TTB_FAKE.yaml" + + base_configs = configs.load(test_files / "pineko.toml") + configs.configs = configs.defaults(base_configs) + pto_to_update = 3 # here we want to update NNLO pdf_name = "NNPDF40_nnlo_as_01180" kfactor.apply_to_dataset( - test_files / "data" / "grids" / "400", + 400, + "ATLAS_TTB_FAKE", test_files / "data" / "kfactors", - fake_yaml_path, pto_to_update, tmp_path, ) diff --git a/docs/source/overview/running.rst b/docs/source/overview/running.rst index 8d3595db..7194999f 100644 --- a/docs/source/overview/running.rst +++ b/docs/source/overview/running.rst @@ -100,7 +100,7 @@ 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 +(i.e., without a ``ymldb`` 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