diff --git a/baredSC/_version.py b/baredSC/_version.py index 1f356cc..1a72d32 100644 --- a/baredSC/_version.py +++ b/baredSC/_version.py @@ -1 +1 @@ -__version__ = '1.0.0' +__version__ = '1.1.0' diff --git a/baredSC/baredSC_1d.py b/baredSC/baredSC_1d.py index 941f622..720c76d 100644 --- a/baredSC/baredSC_1d.py +++ b/baredSC/baredSC_1d.py @@ -11,7 +11,7 @@ from samsam import sam # Local imports -from . common import get_data, permuted, get_Ax, get_prefix_suffix, \ +from . common import get_data_txt, get_data_annData, permuted, get_Ax, get_prefix_suffix, \ plot_QC, get_bins_centers from . oned import logprob, extract_from_npz, write_evidence, \ get_pdf, plots_from_pdf @@ -150,11 +150,14 @@ def parse_arguments(args=None): argpopt_plot = argp.add_argument_group('Optional arguments to get plots and text outputs') argpopt_loge = argp.add_argument_group('Optional arguments to get logevidence') # Get data: - argprequired.add_argument('--input', default=None, required=True, - help="Input table with one line per cell" - " columns with raw counts and one column" - " nCount_RNA with total number of UMI per cell" - " optionally other meta data to filter.") + group = argprequired.add_mutually_exclusive_group(required=True) + group.add_argument('--input', default=None, + help="Input table with one line per cell" + " columns with raw counts and one column" + " nCount_RNA with total number of UMI per cell" + " optionally other meta data to filter.") + group.add_argument('--inputAnnData', default=None, + help="Input annData (for example from Scanpy).") argprequired.add_argument('--geneColName', default=None, required=True, help="Name of the column with gene counts.") argpopt_data.add_argument('--metadata1ColName', default=None, @@ -286,7 +289,14 @@ def main(args=None): # Load data print("Get raw data") start = time.time() - data = get_data(args.input, + if args.input is not None: + input = args.input + get_data = get_data_txt + else: + input = args.inputAnnData + get_data = get_data_annData + + data = get_data(input, args.metadata1ColName, args.metadata1Values, args.metadata2ColName, args.metadata2Values, args.metadata3ColName, args.metadata3Values, diff --git a/baredSC/baredSC_2d.py b/baredSC/baredSC_2d.py index 2191ffd..18aa375 100644 --- a/baredSC/baredSC_2d.py +++ b/baredSC/baredSC_2d.py @@ -12,7 +12,7 @@ from samsam import sam # Local imports -from . common import get_data, permuted, get_Ax, get_prefix_suffix, \ +from . common import get_data_txt, get_data_annData, permuted, get_Ax, get_prefix_suffix, \ plot_QC, get_bins_centers from . twod import logprob, extract_from_npz, write_evidence, \ get_pdf, plots_from_pdf @@ -238,11 +238,14 @@ def parse_arguments(args=None): argpopt_plot = argp.add_argument_group('Optional arguments to get plots and text outputs') argpopt_loge = argp.add_argument_group('Optional arguments to get logevidence') # To get the data - argprequired.add_argument('--input', default=None, required=True, - help="Input table with one line per cell" - " columns with raw counts and one column" - " nCount_RNA with total number of UMI per cell" - " optionaly other meta data to filter.") + group = argprequired.add_mutually_exclusive_group(required=True) + group.add_argument('--input', default=None, + help="Input table with one line per cell" + " columns with raw counts and one column" + " nCount_RNA with total number of UMI per cell" + " optionally other meta data to filter.") + group.add_argument('--inputAnnData', default=None, + help="Input annData (for example from Scanpy).") argprequired.add_argument('--geneXColName', default=None, required=True, help="Name of the column with gene counts for gene in x.") argprequired.add_argument('--geneYColName', default=None, required=True, @@ -428,7 +431,14 @@ def main(args=None): # Load data print("Get raw data") start = time.time() - data = get_data(args.input, + if args.input is not None: + input = args.input + get_data = get_data_txt + else: + input = args.inputAnnData + get_data = get_data_annData + + data = get_data(input, args.metadata1ColName, args.metadata1Values, args.metadata2ColName, args.metadata2Values, args.metadata3ColName, args.metadata3Values, diff --git a/baredSC/combineMultipleModels_1d.py b/baredSC/combineMultipleModels_1d.py index 8431046..6dc9296 100644 --- a/baredSC/combineMultipleModels_1d.py +++ b/baredSC/combineMultipleModels_1d.py @@ -7,7 +7,7 @@ from tempfile import NamedTemporaryFile # Local imports -from . common import get_data, get_bins_centers +from . common import get_data_txt, get_data_annData, get_bins_centers from . oned import logprob, extract_from_npz, write_evidence, \ get_pdf, plots_from_pdf from baredSC._version import __version__ @@ -86,11 +86,14 @@ def parse_arguments(args=None): argpopt_plot = argp.add_argument_group('Optional arguments to customize plots and text outputs') argpopt_loge = argp.add_argument_group('Optional arguments to evaluate logevidence') # Get data: - argprequired.add_argument('--input', default=None, required=True, - help="Input table with one line per cell" - " columns with raw counts and one column" - " nCount_RNA with total number of UMI per cell" - " optionally other meta data to filter.") + group = argprequired.add_mutually_exclusive_group(required=True) + group.add_argument('--input', default=None, + help="Input table with one line per cell" + " columns with raw counts and one column" + " nCount_RNA with total number of UMI per cell" + " optionally other meta data to filter.") + group.add_argument('--inputAnnData', default=None, + help="Input annData (for example from Scanpy).") argprequired.add_argument('--geneColName', default=None, required=True, help="Name of the column with gene counts.") argpopt_data.add_argument('--metadata1ColName', default=None, @@ -198,7 +201,14 @@ def main(args=None): # Load data print("Get raw data") start = time.time() - data = get_data(args.input, + if args.input is not None: + input = args.input + get_data = get_data_txt + else: + input = args.inputAnnData + get_data = get_data_annData + + data = get_data(input, args.metadata1ColName, args.metadata1Values, args.metadata2ColName, args.metadata2Values, args.metadata3ColName, args.metadata3Values, diff --git a/baredSC/combineMultipleModels_2d.py b/baredSC/combineMultipleModels_2d.py index 8aea402..f3a381e 100644 --- a/baredSC/combineMultipleModels_2d.py +++ b/baredSC/combineMultipleModels_2d.py @@ -7,7 +7,7 @@ from tempfile import NamedTemporaryFile # Local imports -from . common import get_data, get_bins_centers, get_Neff +from . common import get_data_txt, get_data_annData, get_bins_centers, get_Neff from . twod import logprob, extract_from_npz, write_evidence, \ get_pdf, plots_from_pdf from baredSC._version import __version__ @@ -124,11 +124,14 @@ def parse_arguments(args=None): argpopt_plot = argp.add_argument_group('Optional arguments to customize plots and text outputs') argpopt_loge = argp.add_argument_group('Optional arguments to evaluate logevidence') # Get data: - argprequired.add_argument('--input', default=None, required=True, - help="Input table with one line per cell" - " columns with raw counts and one column" - " nCount_RNA with total number of UMI per cell" - " optionally other meta data to filter.") + group = argprequired.add_mutually_exclusive_group(required=True) + group.add_argument('--input', default=None, + help="Input table with one line per cell" + " columns with raw counts and one column" + " nCount_RNA with total number of UMI per cell" + " optionally other meta data to filter.") + group.add_argument('--inputAnnData', default=None, + help="Input annData (for example from Scanpy).") argprequired.add_argument('--geneXColName', default=None, required=True, help="Name of the column with gene counts for gene in x.") argprequired.add_argument('--geneYColName', default=None, required=True, @@ -295,7 +298,14 @@ def main(args=None): # Load data print("Get raw data") start = time.time() - data = get_data(args.input, + if args.input is not None: + input = args.input + get_data = get_data_txt + else: + input = args.inputAnnData + get_data = get_data_annData + + data = get_data(input, args.metadata1ColName, args.metadata1Values, args.metadata2ColName, args.metadata2Values, args.metadata3ColName, args.metadata3Values, diff --git a/baredSC/common.py b/baredSC/common.py index dc0adc0..d60eed3 100644 --- a/baredSC/common.py +++ b/baredSC/common.py @@ -4,15 +4,17 @@ import matplotlib.pyplot as plt import pandas as pd from scipy.stats import poisson +from scipy.sparse import issparse +import anndata from samsam import acf mpl.use('agg') -def get_data(input_file, metadata1_cn, metadata1_v, - metadata2_cn, metadata2_v, - metadata3_cn, metadata3_v, - genes): +def get_data_txt(input_file, metadata1_cn, metadata1_v, + metadata2_cn, metadata2_v, + metadata3_cn, metadata3_v, + genes): """ Create a dataframe from input file keep only rows matching metadata values @@ -34,6 +36,109 @@ def get_data(input_file, metadata1_cn, metadata1_v, return(data[genes + ['nCount_RNA']]) +def get_raw_mat_from_annData(adata, used_raw=False, round_threshold=0.01): + """ + Retrieves the raw counts matrix from annData. + We expect that if log and norm were applied + it was applied first Norm and then Log + """ + add_message = "" + if used_raw: + add_message = "in .raw" + # Transform sparse to array + if issparse(adata.X): + X = adata.X.toarray() + else: + X = np.copy(adata.X) + # Check if the data (X) are all positive (not scaled): + if not np.all(X >= 0): + raise Exception(f"Negative values found {add_message}. Cannot go back to raw counts.") + # Check if they are already raw_counts: + if np.array_equal(X, X.astype(int)): + return(X) + # Check if a log was applied + if 'log1p' in adata.uns: + base = adata.uns['log1p']['base'] + if base is not None: + X *= np.log(base) + X = np.expm1(X) + add_message += " delogged" + # Check if normalization was done: + # We assume that if all values + # are really close to integer no norm was performed. + if np.max(np.abs(X - np.round(X))) < round_threshold: + return(np.round(X)) + # We first check that all values are there: + # Try to find the target_sum: + N_t = np.median(X.sum(1)) + if np.max(np.abs(X.sum(1) - N_t)) > 0.1: + # Maybe it was logged but the lop1p in uns has not been exported + X = np.expm1(X) + add_message += " delogged" + if np.max(np.abs(X - np.round(X))) < round_threshold: + return(np.round(X)) + N_t = np.median(X.sum(1)) + if np.max(np.abs(X.sum(1) - N_t)) > 0.1: + raise Exception("The sum of expression for each cell" + f" {add_message} is not constant." + " Genes are probably missing.") + + # We could also check the number of genes detected with: + # np.array_equal(np.sum(X > 0, axis=1), adata.obs['n_genes_by_counts']) + if 'total_counts' not in adata.obs.keys(): + raise Exception(f"The expression {add_message}seems normalized" + " but 'total_counts' is not in obs." + "Cannot get raw values.") + # Denormalize: + X = X * adata.obs['total_counts'][:, None] / N_t + if np.max(np.abs(X - np.round(X))) < round_threshold: + return(np.round(X)) + else: + raise Exception(f"Could not extract raw values of expression {add_message}.") + + +def get_data_annData(input_file, metadata1_cn, metadata1_v, + metadata2_cn, metadata2_v, + metadata3_cn, metadata3_v, + genes): + """ + Create a dataframe from input file + keep only rows matching metadata values + """ + # First load the annData: + adata = anndata.read(input_file) + raw_mat = None + used_raw = False + # If a raw exists we will use it: + if adata.raw is not None: + adata = adata.raw.to_adata() + used_raw = True + raw_mat = get_raw_mat_from_annData(adata, used_raw) + data = pd.DataFrame(data=raw_mat, + index=adata.obs_names, + columns=adata.var_names) + data = pd.concat([data, adata.obs], axis=1) + if 'total_counts' in data.keys(): + data['nCount_RNA'] = data['total_counts'] + else: + data['nCount_RNA'] = raw_mat.sum(1) + + filters = {metadata1_cn: metadata1_v, + metadata2_cn: metadata2_v, + metadata3_cn: metadata3_v} + for col_name in filters: + if col_name is None: + continue + data = data[data[col_name].astype(str).isin(filters[col_name].split(','))] + print(f"You have {data.shape[0]} cells.") + if data.shape[0] == 0: + raise Exception("No cell with selected filters.") + for col_name in genes + ['nCount_RNA']: + if col_name not in data.columns: + raise Exception(f"{col_name} not in the data table.") + return(data[genes + ['nCount_RNA']]) + + # Permut p to get the permutation of p the closest to pref def permuted(p, pref, wdist, permut, n_param_per_gauss): amp = p[(n_param_per_gauss - 1)::n_param_per_gauss] diff --git a/baredSC_dev_env.yml b/baredSC_dev_env.yml index 82bee38..0892b06 100644 --- a/baredSC_dev_env.yml +++ b/baredSC_dev_env.yml @@ -13,6 +13,7 @@ dependencies: - pandas >=0.25.0 - scipy >=1.3.0 - corner >=2.0.0 + - anndata >=0.7 - ipython # For the doc - sphinx-argparse # For the doc - twine # For the upload diff --git a/baredSC_env.yml b/baredSC_env.yml index a40b288..4480fff 100644 --- a/baredSC_env.yml +++ b/baredSC_env.yml @@ -9,6 +9,7 @@ dependencies: - pandas >=0.25.0 - scipy >=1.3.0 - corner >=2.0.0 + - anndata >=0.7 - pip - pip: - --extra-index-url https://obswww.unige.ch/~delisle diff --git a/docs/content/citation.rst b/docs/content/citation.rst new file mode 100644 index 0000000..6254977 --- /dev/null +++ b/docs/content/citation.rst @@ -0,0 +1,6 @@ +Citation +======== + +If you use baredSC in your analysis, you can cite the following paper: + +Lucille Lopez-Delisle and Jean-Baptiste Delisle. baredSC: Bayesian Approach to Retrieve Expression Distribution of Single-Cell. bioRxiv 2021.05.26.445740; `doi:10.1101/2021.05.26.445740 `_. diff --git a/docs/content/releases.rst b/docs/content/releases.rst index ee5bfa4..ef9d061 100644 --- a/docs/content/releases.rst +++ b/docs/content/releases.rst @@ -1,6 +1,15 @@ Releases ======== +1.1.0 +----- + +Improvements: +^^^^^^^^^^^^^ + +- Support annData as input with ``--inputAnnData`` + + 1.0.0 ----- diff --git a/docs/index.rst b/docs/index.rst index c20c0b3..5ae4b3e 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -20,6 +20,7 @@ baredSC is a tool that uses a Monte-Carlo Markov Chain to estimate a confidence content/outputs.rst content/tutorial_sim.rst content/releases.rst + content/citation.rst Indices and tables ================== diff --git a/docs/requirements.txt b/docs/requirements.txt index 68c6ff1..bb340d3 100644 --- a/docs/requirements.txt +++ b/docs/requirements.txt @@ -8,3 +8,4 @@ samsam sphinx-argparse sphinx-autorun IPython +anndata diff --git a/example/annData_1d_1gauss.png b/example/annData_1d_1gauss.png new file mode 100644 index 0000000..e7043c4 Binary files /dev/null and b/example/annData_1d_1gauss.png differ diff --git a/example/annData_1d_1gauss_convergence.png b/example/annData_1d_1gauss_convergence.png new file mode 100644 index 0000000..07a8a33 Binary files /dev/null and b/example/annData_1d_1gauss_convergence.png differ diff --git a/example/annData_1d_1gauss_corner.png b/example/annData_1d_1gauss_corner.png new file mode 100644 index 0000000..45231c2 Binary files /dev/null and b/example/annData_1d_1gauss_corner.png differ diff --git a/example/annData_1d_1gauss_individuals.png b/example/annData_1d_1gauss_individuals.png new file mode 100644 index 0000000..f0373e2 Binary files /dev/null and b/example/annData_1d_1gauss_individuals.png differ diff --git a/example/annData_1d_1gauss_logevid.txt b/example/annData_1d_1gauss_logevid.txt new file mode 100644 index 0000000..dd6d542 --- /dev/null +++ b/example/annData_1d_1gauss_logevid.txt @@ -0,0 +1 @@ +-151.19709986628135 diff --git a/example/annData_1d_1gauss_means.txt.gz b/example/annData_1d_1gauss_means.txt.gz new file mode 100644 index 0000000..26f60df Binary files /dev/null and b/example/annData_1d_1gauss_means.txt.gz differ diff --git a/example/annData_1d_1gauss_neff.txt b/example/annData_1d_1gauss_neff.txt new file mode 100644 index 0000000..60aac3c --- /dev/null +++ b/example/annData_1d_1gauss_neff.txt @@ -0,0 +1 @@ +1994.0513091885653 diff --git a/example/annData_1d_1gauss_p.png b/example/annData_1d_1gauss_p.png new file mode 100644 index 0000000..4e27016 Binary files /dev/null and b/example/annData_1d_1gauss_p.png differ diff --git a/example/annData_1d_1gauss_p.txt b/example/annData_1d_1gauss_p.txt new file mode 100644 index 0000000..a806549 --- /dev/null +++ b/example/annData_1d_1gauss_p.txt @@ -0,0 +1,3 @@ +name low median high +mu0 -1.6792912752225149 0.2678167039707984 0.7393956920541539 +scale0 0.7895420573518143 1.0515526423007606 1.749748203427554 diff --git a/example/annData_1d_1gauss_pdf.txt b/example/annData_1d_1gauss_pdf.txt new file mode 100644 index 0000000..42e7327 --- /dev/null +++ b/example/annData_1d_1gauss_pdf.txt @@ -0,0 +1,101 @@ +x low mean high median +0.02 0.40123480307935794 0.6219801462594965 0.850510453624727 0.6094516664281573 +0.06 0.4185511203346392 0.623130052808358 0.8323156898232948 0.6139123304814369 +0.1 0.43476336197305454 0.6239555384073042 0.8148571089462642 0.6181585896544748 +0.14 0.4509499341726203 0.6244205682588752 0.7977225368756531 0.6215281122964622 +0.18 0.4669893883023031 0.6244892621108927 0.7808057942054096 0.6240923968043617 +0.22 0.483572111757214 0.6241262280892803 0.7638278466836395 0.6263127491983256 +0.26 0.4975807129578373 0.6232969184498997 0.7473820661229938 0.6267038889855592 +0.30000000000000004 0.5103150081283437 0.6219680036317564 0.7321340562040438 0.6270920182685511 +0.33999999999999997 0.5219660398708259 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1.1808100096881982e-07 1.1888377688580256e-10 +3.72 3.88 3.916942138085901e-15 1.432000264920738e-06 1.0200534372562265e-07 1.0046814929709138e-10 +3.8 3.88 3.067971771261312e-15 1.272400384697268e-06 8.617394323729892e-08 8.36835974377311e-11 +3.88 3.88 2.513279880436785e-15 1.1316335349334273e-06 7.305471642062551e-08 6.896816536275547e-11 +3.96 3.88 1.984425418325026e-15 1.0073164243975587e-06 6.224864425177765e-08 5.713019284413139e-11 +0.04 3.96 1.0138244228189293e-15 2.4324233081443292e-05 3.3804076179492283e-07 1.34904635507122e-10 +0.12 3.96 1.2820468154199523e-15 2.4603067834235138e-05 3.645240161768595e-07 1.5190868645211852e-10 +0.2 3.96 1.578844600614669e-15 2.4855111776369415e-05 3.897591740879281e-07 1.766425793451024e-10 +0.28 3.96 1.9289626655160606e-15 2.507599763051001e-05 4.1558387841176554e-07 1.9269019628111014e-10 +0.36 3.96 2.2102290650332475e-15 2.526082352671359e-05 4.4116295034161524e-07 2.1523905959310262e-10 +0.44 3.96 2.6581525528394776e-15 2.5403982091736264e-05 4.640258657084757e-07 2.376554563760982e-10 +0.52 3.96 2.9250229228032975e-15 2.549905809067184e-05 4.847673161600084e-07 2.64586719531404e-10 +0.6000000000000001 3.96 3.2882652946791416e-15 2.5538829332441275e-05 5.115508531069885e-07 2.8688527512617257e-10 +0.6799999999999999 3.96 3.626515312015949e-15 2.551539714428745e-05 5.480172808930209e-07 3.178301213715804e-10 +0.76 3.96 4.212539212647734e-15 2.5420459012529307e-05 5.738638310183011e-07 3.3852207133552705e-10 +0.8400000000000001 3.96 4.876363147357288e-15 2.524571838768971e-05 5.917570802365606e-07 3.605870704936542e-10 +0.9199999999999999 3.96 5.098965738902164e-15 2.498340741924965e-05 6.082865624744339e-07 3.7961588985079587e-10 +1.0 3.96 5.459898248659252e-15 2.462688032148305e-05 6.186009918975495e-07 4.015988393448269e-10 +1.08 3.96 6.032408241829055e-15 2.4171221084138233e-05 6.174402306651302e-07 4.2748648278087904e-10 +1.1600000000000001 3.96 6.699372388748322e-15 2.3613801828417972e-05 6.237649223918605e-07 4.496105131432704e-10 +1.24 3.96 7.35144934956937e-15 2.2954728878209258e-05 6.25805453889017e-07 4.679095609958044e-10 +1.32 3.96 7.911473694511695e-15 2.2197122932245713e-05 6.356617327741189e-07 4.712187515850141e-10 +1.4 3.96 8.086468337993962e-15 2.134719656338075e-05 6.285687808693705e-07 4.813045824051602e-10 +1.48 3.96 8.688628040350188e-15 2.041411434646297e-05 6.249256312564164e-07 4.739938379410477e-10 +1.56 3.96 9.095197870837367e-15 1.9409645035653563e-05 6.066757953841081e-07 4.696123487272712e-10 +1.6400000000000001 3.96 9.249775137582002e-15 1.8347637838125784e-05 6.088120794352785e-07 4.579506680252644e-10 +1.72 3.96 9.653753697736005e-15 1.7243372713305844e-05 5.7932166566757e-07 4.522767972105103e-10 +1.8 3.96 1.020248310846995e-14 1.611284538039257e-05 5.731625381516574e-07 4.3689578178333484e-10 +1.88 3.96 1.0524210849443004e-14 1.4972050225139665e-05 5.454859143111679e-07 4.325620466702431e-10 +1.96 3.96 1.0469663468208158e-14 1.383631884997075e-05 5.278403129326273e-07 4.168079182892426e-10 +2.04 3.96 1.0512223930464519e-14 1.2719760159967253e-05 5.073487085503303e-07 3.985325624308062e-10 +2.12 3.96 9.943615730032266e-15 1.163483204297326e-05 4.789080631299858e-07 3.831280255218687e-10 +2.2 3.96 9.628736729008734e-15 1.05920576482125e-05 4.6171177072595365e-07 3.6387156631686435e-10 +2.2800000000000002 3.96 9.25204078766183e-15 9.599883556365458e-06 4.291019286882081e-07 3.383748348405684e-10 +2.36 3.96 8.588110596229297e-15 8.66466469103026e-06 4.0188803422503635e-07 3.202468271984042e-10 +2.44 3.96 8.054175148037816e-15 7.79075269421843e-06 3.729184218613945e-07 3.0107960572983987e-10 +2.52 3.96 7.584598185185506e-15 6.9806608202863764e-06 3.3924896197715723e-07 2.850326435186247e-10 +2.6 3.96 7.191214622730659e-15 6.2352785949122455e-06 3.0972045718913977e-07 2.578150020810678e-10 +2.68 3.96 6.50134943870325e-15 5.554112476832528e-06 2.795188253585864e-07 2.373379451137922e-10 +2.7600000000000002 3.96 5.917836103962056e-15 4.935533334644978e-06 2.5252107415933253e-07 2.1896670087891215e-10 +2.84 3.96 5.340276743514801e-15 4.377016603348436e-06 2.340493226716605e-07 1.9620441375890346e-10 +2.92 3.96 4.79595226235148e-15 3.875365689995057e-06 2.092144611466998e-07 1.7379087663803841e-10 +3.0 3.96 4.352675717253388e-15 3.4269130730712237e-06 1.8570704405906685e-07 1.5385820098705363e-10 +3.08 3.96 3.8847974555944785e-15 3.0276964210366705e-06 1.6745938377792565e-07 1.3852651982788635e-10 +3.16 3.96 3.456609824706712e-15 2.6736090093343574e-06 1.494743096690387e-07 1.2126757964464332e-10 +3.24 3.96 2.881122416527323e-15 2.3605249384231244e-06 1.328500316874815e-07 1.0553037745521533e-10 +3.3200000000000003 3.96 2.554303007917148e-15 2.084400380000191e-06 1.1465617117218097e-07 9.109148047964655e-11 +3.4 3.96 2.189371563138622e-15 1.8413525076215433e-06 1.0141543855261754e-07 8.072340550338699e-11 +3.48 3.96 1.806764069258671e-15 1.627718043946677e-06 8.755512649275644e-08 6.938453520921582e-11 +3.56 3.96 1.4306010679889472e-15 1.440093557841316e-06 7.633484099357256e-08 5.7192429083369464e-11 +3.64 3.96 1.133862078631882e-15 1.2753597976237047e-06 6.604883508690931e-08 4.558531794022577e-11 +3.72 3.96 9.41750323786496e-16 1.1306924484300807e-06 5.701620494180898e-08 3.888291875933418e-11 +3.8 3.96 7.13772505608865e-16 1.0035617373086425e-06 4.900548145440102e-08 3.254629234543115e-11 +3.88 3.96 5.546431189241652e-16 8.917232669804973e-07 4.144712374975354e-08 2.7005330737213096e-11 +3.96 3.96 4.585433737476526e-16 7.932023352569941e-07 3.4718044682769775e-08 2.1858652627534426e-11 diff --git a/example/run_first_example_annData.sh b/example/run_first_example_annData.sh new file mode 100644 index 0000000..cbeabd0 --- /dev/null +++ b/example/run_first_example_annData.sh @@ -0,0 +1,45 @@ +wget "https://usegalaxy.eu/datasets/11ac94870d0bb33ac1a474def9f936f9/display?to_ext=h5ad" -O /tmp/test.h5ad + +# 1 gauss +# 0:00:43 of MCMC +# 0:00:05 of pdf +baredSC_1d \ + --inputAnnData /tmp/test.h5ad \ + --geneColName PIN3 \ + --output example/annData_1d_1gauss \ + --nnorm 1 \ + --xmax 4 \ + --metadata1ColName leiden \ + --metadata1Values columella+QC+NC \ + --figure example/annData_1d_1gauss.png \ + --title "annData_1d_1gauss" \ + --logevidence example/annData_1d_1gauss_logevid.txt + +# 2 gauss +# 0:00:43 of MCMC +# 0:00:07 of pdf +baredSC_1d \ + --inputAnnData /tmp/test.h5ad \ + --geneColName PIN3 \ + --output example/annData_1d_2gauss \ + --nnorm 2 \ + --xmax 4 \ + --metadata1ColName leiden \ + --metadata1Values columella+QC+NC \ + --figure example/annData_1d_2gauss.png \ + --title "annData_1d_2gauss" \ + --logevidence example/annData_1d_2gauss_logevid.txt + +baredSC_2d \ + --inputAnnData /tmp/test.h5ad \ + --geneXColName PIN3 \ + --geneYColName PIN7 \ + --output example/annData_2d_1gauss \ + --nnorm 1 \ + --xmax 4 \ + --ymax 4 \ + --metadata1ColName leiden \ + --metadata1Values columella+QC+NC \ + --figure example/annData_2d_1gauss.png \ + --title "annData_2d_1gauss" \ + --logevidence example/annData_2d_1gauss_logevid.txt diff --git a/requirements.txt b/requirements.txt index 867abe8..5a08bf2 100644 --- a/requirements.txt +++ b/requirements.txt @@ -5,3 +5,4 @@ pandas >=0.25.0 scipy >=1.3.0 corner >=2.0.0 samsam >=0.1.2 +anndata >=0.7 diff --git a/setup.py b/setup.py index b808e00..b7b25a7 100644 --- a/setup.py +++ b/setup.py @@ -18,12 +18,21 @@ def get_version(): return None +# From numpy: +def get_docs_url(): + # For releases, this URL ends up on pypi. + # By pinning the version, users looking at old PyPI releases can get + # to the associated docs easily. + return f"https://baredsc.readthedocs.io/en/v{get_version()}" + + install_requires_py = ["numpy >=1.16", "matplotlib >=3.1.1", "pandas >=0.25.0", "scipy >=1.3.0", "corner >=2.0.0", - "samsam >=0.1.2" + "samsam >=0.1.2", + "anndata >=0.7" ] @@ -36,8 +45,11 @@ def get_version(): scripts=['bin/baredSC_1d', 'bin/baredSC_2d', 'bin/combineMultipleModels_1d', 'bin/combineMultipleModels_2d'], - # TODO: url='http://baredsc.readthedocs.io', url='https://github.com/lldelisle/baredSC', + project_urls={ + "Bug Tracker": "https://github.com/lldelisle/baredSC/issues", + "Documentation": get_docs_url() + }, license='GPLv3', description='baredSC: Bayesian Approach to Retreive Expression Distribution of Single Cell', long_description=open('README.md').read(),