From 3352277392ed36080b49df8875e098568991b4bc Mon Sep 17 00:00:00 2001 From: Clara <57916928+clarabakker@users.noreply.github.com> Date: Mon, 30 Oct 2023 20:43:02 -0400 Subject: [PATCH 1/2] manage h5file I/O, convert to poetry, update versions of all libraries, adjust test for new output --- hic2cool/hic2cool_updates.py | 2 +- hic2cool/hic2cool_utils.py | 52 +-- poetry.lock | 686 +++++++++++++++++++++++++++++++++++ pyproject.toml | 41 +++ setup.cfg | 2 - setup.py | 54 --- test.py | 7 +- 7 files changed, 757 insertions(+), 87 deletions(-) create mode 100644 poetry.lock create mode 100644 pyproject.toml delete mode 100644 setup.cfg delete mode 100644 setup.py diff --git a/hic2cool/hic2cool_updates.py b/hic2cool/hic2cool_updates.py index c1465fe..794608d 100644 --- a/hic2cool/hic2cool_updates.py +++ b/hic2cool/hic2cool_updates.py @@ -118,7 +118,7 @@ def add_v3_attrs(h5_data, res=None): add_v3_attrs(h5_file['resolutions'][res], res=res) else: add_v3_attrs(h5_file) - h5_file.close() + h5_file.close() def update_mcool_schema_v2(writefile): diff --git a/hic2cool/hic2cool_utils.py b/hic2cool/hic2cool_utils.py index 5f9ab9e..fac8499 100755 --- a/hic2cool/hic2cool_utils.py +++ b/hic2cool/hic2cool_utils.py @@ -38,8 +38,8 @@ from ._version import __version__ from .hic2cool_updates import prepare_hic2cool_updates from .hic2cool_config import * -from multiprocessing import Pool -#from multiprocessing import Process, Manager +#import dill +from multiprocess import Pool # input vs. raw_input for python 2/3 try: @@ -310,8 +310,8 @@ def read_normalization_vector(f, buf, entry): return np.frombuffer(buf, dtype=np.dtype('= nproc and nproc >= 2: mpi_result = [None] * nproc blocklen = len(block_info) // nproc @@ -352,29 +352,28 @@ def parse_hic(req, pool, nproc, chr_key, unit, binsize, pair_footer_info, block_end = len(block_info) else: block_end = (mpi + 1) * blocklen - mpi_result[mpi] = pool.apply_async(build_counts_chunk, (mpi, c1, c2, block_info[block_start:block_end], chr_offset_map, region_indices,)) + mpi_result[mpi] = pool.apply_async(build_counts_chunk, (mpi, c1, c2, block_info[block_start:block_end], chr_offset_map, region_indices, req_ar)) result_all = [] for mpi in range(0, nproc): mpi_result[mpi].wait() result_all.extend(mpi_result[mpi].get()) return np.concatenate(result_all, axis=0) else: - result_all = build_counts_chunk(0, c1, c2, block_info, chr_offset_map, region_indices) + result_all = build_counts_chunk(0, c1, c2, block_info, chr_offset_map, region_indices, req_ar) return np.concatenate(result_all, axis=0) #return build_counts_chunk(nproc, c1, c2, block_info, chr_offset_map, region_indices) -def build_counts_chunk(mpi, c1, c2, block_info, chr_offset_map, region_indices): +def build_counts_chunk(mpi, c1, c2, block_info, chr_offset_map, region_indices, reqarr): """ Takes the given block_info and find those bin_IDs/counts from the hic file, using them to build and return a chunk of counts """ [binX0, binX1, binY0, binY1] = region_indices block_results = [] - global reqarr - req = reqarr[mpi] + req_file = reqarr[mpi] for block_record in block_info: - records = read_block(req, block_record) + records = read_block(req_file, block_record) # skip empty records if not records.size: continue @@ -391,7 +390,7 @@ def build_counts_chunk(mpi, c1, c2, block_info, chr_offset_map, region_indices): return block_results -def initialize_res(outfile, req, buf, unit, chr_info, genome, metadata, +def initialize_res(outfile, infile, buf, unit, chr_info, genome, metadata, resolution, norm_info, multi_res, show_warnings): """ Use various information to initialize a cooler file in HDF5 format. Tables @@ -427,7 +426,7 @@ def initialize_res(outfile, req, buf, unit, chr_info, genome, metadata, # bins bin_table, chr_offsets, by_chr_bins, by_chr_offset_map = create_bins(chr_info, resolution) grp = h5resolution.create_group('bins') - write_bins(grp, req, buf, unit, resolution, chr_names, bin_table, by_chr_bins, norm_info, show_warnings) + write_bins(grp, infile, buf, unit, resolution, chr_names, bin_table, by_chr_bins, norm_info, show_warnings) n_bins = len(bin_table) # indexes (just initialize bin1offets) grp = h5resolution.create_group('indexes') @@ -514,7 +513,7 @@ def create_bins(chrs, binsize): return np.array(bins_array), np.array(offsets), by_chr_bins, by_chr_offsets -def write_bins(grp, req, buf, unit, res, chroms, bins, by_chr_bins, norm_info, show_warnings): +def write_bins(grp, infile, buf, unit, res, chroms, bins, by_chr_bins, norm_info, show_warnings): """ Write the bins table, which has columns: chrom, start (in bp), end (in bp), and one column for each normalization type, named for the norm type. @@ -557,11 +556,12 @@ def write_bins(grp, req, buf, unit, res, chroms, bins, by_chr_bins, norm_info, s WARN = True if show_warnings: print_stderr('!!! WARNING. Normalization vector %s does not exist for chr idx %s.' - % (norm, chr_idx)) + % (norm, chr_idx)) # add a vector of nan's for missing vectors norm_data.extend([np.nan]*chr_bin_end) continue - norm_vector = read_normalization_vector(req, buf, norm_key) + with open(infile, "rb") as req: + norm_vector = read_normalization_vector(req, buf, norm_key) # NOTE: possible issue to look into # norm_vector returned by read_normalization_vector has an extra # entry at the end (0.0) that is never used and causes the @@ -575,7 +575,7 @@ def write_bins(grp, req, buf, unit, res, chroms, bins, by_chr_bins, norm_info, s error_str = ( '!!! ERROR. Length of normalization vector %s does not match the' ' number of bins.\nThis is likely a problem with the hic file' % (norm)) - force_exit(error_str, req) + force_exit(error_str) grp.create_dataset( norm, shape=(len(norm_data),), @@ -669,6 +669,7 @@ def write_pixels_chunk(outfile, resolution, chunks, multi_res): prev_size = dataset.shape[0] dataset.resize(prev_size + nnz, axis=0) dataset[prev_size:] = chunks[set_name] + h5file.close() def finalize_resolution_cool(outfile, resolution, multi_res): @@ -691,6 +692,7 @@ def finalize_resolution_cool(outfile, resolution, multi_res): # update attributes with nnz info = {'nnz': nnz} h5resolution.attrs.update(info) + h5file.close() def rlencode(array, chunksize=None): @@ -824,6 +826,7 @@ def run_hic2cool_updates(updates, infile, writefile): h5_file.attrs['generated-by'] = generated_by h5_file.attrs['update-date'] = update_data print('... Updated metadata') + h5_file.close() print('### Finished! Output written to: %s' % writefile) @@ -850,11 +853,9 @@ def hic2cool_convert(infile, outfile, resolution=0, nproc=1, show_warnings=False global WARN WARN = False req = open(infile, 'rb') - global reqarr reqarr = [] for i in range(0, nproc): reqarr.append(open(infile, 'rb')) - global mmap_buf mmap_buf = mmap.mmap(req.fileno(), 0, access=mmap.ACCESS_READ) used_chrs, resolutions, masteridx, genome, metadata = read_header(req) pair_footer_info, expected, factors, norm_info = read_footer(req, mmap_buf, masteridx) @@ -910,13 +911,13 @@ def hic2cool_convert(infile, outfile, resolution=0, nproc=1, show_warnings=False force_exit(error_string, req) if WARN: print_stderr('!!! WARNING: removed pre-existing file: %s' % (outfile)) - + req.close() print('### Converting') pool = Pool(processes=nproc) for binsize in use_resolutions: t_start = time.time() # initialize cooler file. return per resolution bin offset maps - chr_offset_map, chr_bins = initialize_res(outfile, req, mmap_buf, unit, used_chrs, + chr_offset_map, chr_bins = initialize_res(outfile, infile, mmap_buf, unit, used_chrs, genome, metadata, binsize, norm_info, multi_res, show_warnings) covered_chr_pairs = [] for chr_a in used_chrs: @@ -933,9 +934,9 @@ def hic2cool_convert(infile, outfile, resolution=0, nproc=1, show_warnings=False # and c2-c1 reciprocally if chr_key in covered_chr_pairs: continue - tmp_chunk = parse_hic(req, pool, nproc, chr_key, unit, binsize, + tmp_chunk = parse_hic(infile, pool, nproc, chr_key, unit, binsize, pair_footer_info, chr_offset_map, chr_bins, - used_chrs, show_warnings) + used_chrs, show_warnings, mmap_buf, reqarr) total_chunk = np.concatenate((total_chunk, tmp_chunk), axis=0) del tmp_chunk covered_chr_pairs.append(chr_key) @@ -948,7 +949,6 @@ def hic2cool_convert(infile, outfile, resolution=0, nproc=1, show_warnings=False elapsed_parse = t_parse - t_start if not silent: print('... Resolution %s took: %s seconds.' % (binsize, elapsed_parse)) - req.close() for i in range(0, nproc): reqarr[i].close() pool.close() diff --git a/poetry.lock b/poetry.lock new file mode 100644 index 0000000..73b4397 --- /dev/null +++ b/poetry.lock @@ -0,0 +1,686 @@ +# This file is automatically @generated by Poetry 1.6.1 and should not be changed by hand. + +[[package]] +name = "asciitree" +version = "0.3.3" +description = "Draws ASCII trees." +optional = false +python-versions = "*" +files = [ + {file = "asciitree-0.3.3.tar.gz", hash = "sha256:4aa4b9b649f85e3fcb343363d97564aa1fb62e249677f2e18a96765145cc0f6e"}, +] + +[[package]] +name = "click" +version = "8.1.7" +description = "Composable command line interface toolkit" +optional = false +python-versions = ">=3.7" +files = [ + {file = "click-8.1.7-py3-none-any.whl", hash = "sha256:ae74fb96c20a0277a1d615f1e4d73c8414f5a98db8b799a7931d1582f3390c28"}, + {file = "click-8.1.7.tar.gz", hash = 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Durand and +# Yue Wu (https://github.com/theaidenlab/straw). The cooler file writing was +# based off of much of the CLI code contained in this +# repo: https://github.com/mirnylab/cooler. + +[tool.poetry] +name = "hic2cool" +version = "1.0.0" +description = """Converter between hic files (from juicer) and single-resolution or multi-resolution cool files (for cooler). Both hic and cool files describe Hi-C contact matrices. Intended to be lightweight, this can be used as an imported package or a stand-alone Python tool for command line conversion.""" +authors = ["Carl Vitzthum "] +license = "MIT" +readme = "README.md" +repository = "https://github.com/4dn-dcic/hic2cool/" +keywords = ["bioinformatics", "genomics", "hi-c", "juicer", "cooler", "contact-matrix", "file-format"] +classifiers = [ + "Programming Language :: Python :: 3", + "Development Status :: 4 - Beta", + "Intended Audience :: Developers", + "Intended Audience :: Science/Research", + "License :: OSI Approved :: MIT License", + "Operating System :: OS Independent", + "Topic :: Software Development :: Libraries :: Python Modules", + "Topic :: Scientific/Engineering :: Bio-Informatics" +] +include = [] +packages = [ + { include="hic2cool", from="." } +] + +[tool.poetry.dependencies] +python = ">=3.8,<3.10" +numpy = ">=1.9" +scipy = ">=1.10.1" +pandas = ">=1.0" +h5py = ">=2.5.0" +cooler = "0.9.3" + +[build-system] +requires = ["poetry_core>=1.0.0"] +build-backend = "poetry.core.masonry.api" diff --git a/setup.cfg b/setup.cfg deleted file mode 100644 index b88034e..0000000 --- a/setup.cfg +++ /dev/null @@ -1,2 +0,0 @@ -[metadata] -description-file = README.md diff --git a/setup.py b/setup.py deleted file mode 100644 index 23297d7..0000000 --- a/setup.py +++ /dev/null @@ -1,54 +0,0 @@ -#!/usr/bin/env python -# Written by Carl Vitzthum with help from Soo Lee -# This code was originally based off of the straw project by Neva C. Durand and -# Yue Wu (https://github.com/theaidenlab/straw). The cooler file writing was -# based off of much of the CLI code contained in this -# repo: https://github.com/mirnylab/cooler. - -import io -from setuptools import setup -from os import path - -this_directory = path.abspath(path.dirname(__file__)) -with io.open(path.join(this_directory, 'README.md'), encoding='utf-8') as f: - long_description = f.read() - -with open('requirements.txt') as f: - set_parsed = f.read().splitlines() -requires = [req.strip() for req in set_parsed if 'git+' not in req] - -this_version = io.open(path.join(this_directory, "hic2cool/_version.py")).readlines()[-1].split()[-1].strip("\"'") - -setup( - name = "hic2cool", - version = this_version, - packages = ['hic2cool'], - description = """Converter between hic files (from juicer) and single-resolution or multi-resolution cool files (for cooler). Both hic and cool files describe Hi-C contact matrices. Intended to be lightweight, this can be used as an imported package or a stand-alone Python tool for command line conversion.""", - long_description=long_description, - long_description_content_type='text/markdown', - url = "https://github.com/4dn-dcic/hic2cool", - download_url = "https://github.com/4dn-dcic/hic2cool/tarball/" + this_version, - author = "Carl Vitzthum", - author_email = "carl.vitzthum@gmail.com", - license = "MIT", - keywords = ["bioinformatics", "genomics", "hi-c", "juicer", "cooler", "contact-matrix", "file-format"], - install_requires = requires, - setup_requires = requires, - tests_require = requires, - test_suite = "test", - entry_points = { - 'console_scripts': [ - 'hic2cool = hic2cool.__main__:main', - ] - }, - classifiers = [ - "Programming Language :: Python :: 3", - "Development Status :: 4 - Beta", - "Intended Audience :: Developers", - "Intended Audience :: Science/Research", - "License :: OSI Approved :: MIT License", - "Operating System :: OS Independent", - "Topic :: Software Development :: Libraries :: Python Modules", - "Topic :: Scientific/Engineering :: Bio-Informatics" - ] -) diff --git a/test.py b/test.py index 110ee09..f328d0f 100644 --- a/test.py +++ b/test.py @@ -62,7 +62,7 @@ def get_norms_content_md5(self, fname, use_resolutions=None, bin_lens={}): Also return int bin length found in the file """ str_val = '' - with h5py.File(fname) as h5: + with h5py.File(fname, 'r') as h5: if not use_resolutions: use_resolutions = [r for r in h5['resolutions']] for res in use_resolutions: @@ -81,11 +81,11 @@ def get_norms_content_md5(self, fname, use_resolutions=None, bin_lens={}): def test_convert(self): hic2cool_convert(self.infile_name, self.outfile_name_all) - assert os.stat(self.outfile_name_all).st_size == 6158552 + assert os.stat(self.outfile_name_all).st_size == 6158040 def test_convert_multiprocessing(self): hic2cool_convert(self.infile_name, self.outfile_name_all, 0, 2) - assert os.stat(self.outfile_name_all).st_size == 6158552 + assert os.stat(self.outfile_name_all).st_size == 6158040 def test_0_run_with_warnings(self): with captured_output() as (out, err): @@ -331,7 +331,6 @@ def test_no_norms(self): for norm in NORMS: self.assertTrue(norm not in res500kb_bins.keys()) - class TestRunUpdate(unittest.TestCase): infile_name = 'test_data/hic2cool_0.4.2_single_res.cool' outfile_name = 'test_data/OUT_new_version_single_res.cool' From 46864a3162a7c46f3e93d15857faa050266d9939 Mon Sep 17 00:00:00 2001 From: Clara <57916928+clarabakker@users.noreply.github.com> Date: Mon, 30 Oct 2023 21:06:32 -0400 Subject: [PATCH 2/2] remove commented line, unused requirements file --- hic2cool/hic2cool_utils.py | 1 - requirements.txt | 5 ----- 2 files changed, 6 deletions(-) delete mode 100644 requirements.txt diff --git a/hic2cool/hic2cool_utils.py b/hic2cool/hic2cool_utils.py index fac8499..cbfa191 100755 --- a/hic2cool/hic2cool_utils.py +++ b/hic2cool/hic2cool_utils.py @@ -38,7 +38,6 @@ from ._version import __version__ from .hic2cool_updates import prepare_hic2cool_updates from .hic2cool_config import * -#import dill from multiprocess import Pool # input vs. raw_input for python 2/3 diff --git a/requirements.txt b/requirements.txt deleted file mode 100644 index c4d557c..0000000 --- a/requirements.txt +++ /dev/null @@ -1,5 +0,0 @@ -h5py>=2.8.0 -numpy>=1.10.1 -scipy -pandas -cooler>=0.8.5