Mercurial > repos > bgruening > erga_ear
view make_EAR.py @ 2:a34826ae0a73 draft default tip
planemo upload for repository https://github.com/ERGA-consortium/EARs/tree/main commit e293d14e82a903a4cab64dd72dfa3f3798466176
| author | bgruening |
|---|---|
| date | Fri, 30 Aug 2024 09:27:31 +0000 |
| parents | 8c99976de71e |
| children |
line wrap: on
line source
import argparse import logging import math import os import re import sys from datetime import datetime import pytz import requests import yaml from reportlab.lib import colors from reportlab.lib.pagesizes import A4 from reportlab.lib.styles import getSampleStyleSheet, ParagraphStyle from reportlab.lib.units import cm from reportlab.platypus import Image, PageBreak, Paragraph, SimpleDocTemplate, Spacer, Table, TableStyle # make_EAR_glxy.py # CAUTION: This is for the Galaxy version! # by Diego De Panis # ERGA Sequencing and Assembly Committee EAR_version = "v24.08.26" def make_report(yaml_file): logging.basicConfig(filename='EAR.log', level=logging.INFO) # Read the content from EAR.yaml file with open(yaml_file, "r") as file: yaml_data = yaml.safe_load(file) # FUNCTIONS ################################################################################### def format_number(value): try: value_float = float(value) if value_float.is_integer(): # format as an integer if no decimal part return f'{int(value_float):,}' else: # format as a float return f'{value_float:,}' except ValueError: # return the original value if it can't be converted to a float return value # extract gfastats values def extract_gfastats_values(content, keys): return [re.findall(f"{key}: (.+)", content)[0] for key in keys] keys = [ "Total scaffold length", "GC content %", "# gaps in scaffolds", "Total gap length in scaffolds", "# scaffolds", "Scaffold N50", "Scaffold L50", "Scaffold L90", "# contigs", "Contig N50", "Contig L50", "Contig L90", ] display_names = keys.copy() display_names[display_names.index("Total scaffold length")] = "Total bp" total_length_index = keys.index("Total scaffold length") display_names[display_names.index("GC content %")] = "GC %" display_names[display_names.index("Total gap length in scaffolds")] = "Total gap bp" display_names[display_names.index("# scaffolds")] = "Scaffolds" display_names[display_names.index("# contigs")] = "Contigs" gaps_index = keys.index("# gaps in scaffolds") exclusion_list = ["# gaps in scaffolds"] # extract Total bp from gfastats report def extract_total_bp_from_gfastats(gfastats_path): with open(gfastats_path, "r") as f: content = f.read() total_bp = re.search(r"Total scaffold length: (.+)", content).group(1) total_bp = int(total_bp.replace(',', '')) return "{:,}".format(total_bp) # compute EBP quality metric def compute_ebp_metric(haplotype, gfastats_path, qv_value): keys_needed = ["Contig N50", "Scaffold N50"] content = '' with open(gfastats_path, "r") as f: content = f.read() values = extract_gfastats_values(content, keys_needed) contig_n50_log = math.floor(math.log10(int(values[0].replace(',', '')))) scaffold_n50_log = math.floor(math.log10(int(values[1].replace(',', '')))) return f"Obtained EBP quality metric for {haplotype}: {contig_n50_log}.{scaffold_n50_log}.Q{math.floor(float(qv_value))}" # extract qv values def get_qv_value(file_path, order, tool, haplotype): try: with open(file_path, 'r') as file: lines = file.readlines() if len(lines) > order and (len(lines) == 1 or lines[2].split('\t')[0].strip() == "Both"): target_line = lines[order] fourth_column_value = target_line.split('\t')[3] return fourth_column_value except Exception as e: logging.error(f"Error reading {file_path} for tool {tool} and haplotype {haplotype}: {str(e)}") return '' # extract Kmer completeness values def get_completeness_value(file_path, order, tool, haplotype): try: with open(file_path, 'r') as file: lines = file.readlines() if len(lines) > order: target_line = lines[order] fifth_column_value = target_line.split('\t')[4].strip() return fifth_column_value except Exception as e: logging.error(f"Error reading {file_path} for tool {tool} and haplotype {haplotype}: {str(e)}") return '' # get unique part in file names def find_unique_parts(file1, file2): # Split filenames into parts parts1 = file1.split('.') parts2 = file2.split('.') # Find unique parts unique_parts1 = [part for part in parts1 if part not in parts2] unique_parts2 = [part for part in parts2 if part not in parts1] return ' '.join(unique_parts1), ' '.join(unique_parts2) # extract BUSCO values def extract_busco_values(file_path): try: with open(file_path, 'r') as file: content = file.read() results_line = re.findall(r"C:.*n:\d+", content)[0] s_value = re.findall(r"S:(\d+\.\d+%)", results_line)[0] d_value = re.findall(r"D:(\d+\.\d+%)", results_line)[0] f_value = re.findall(r"F:(\d+\.\d+%)", results_line)[0] m_value = re.findall(r"M:(\d+\.\d+%)", results_line)[0] return s_value, d_value, f_value, m_value except Exception as e: logging.warning(f"Error reading {file_path}: {str(e)}") return '', '', '', '' # extract BUSCO info def extract_busco_info(file_path): busco_version = None lineage_info = None try: with open(file_path, 'r') as file: content = file.read() version_match = re.search(r"# BUSCO version is: ([\d.]+)", content) if version_match: busco_version = version_match.group(1) lineage_match = re.search(r"The lineage dataset is: (.*?) \(Creation date:.*?, number of genomes: (\d+), number of BUSCOs: (\d+)\)", content) if lineage_match: lineage_info = lineage_match.groups() if not lineage_info: lineage_match = re.search(r"The lineage dataset is: (.*?) \(Creation date:.*?, number of species: (\d+), number of BUSCOs: (\d+)\)", content) if lineage_match: lineage_info = lineage_match.groups() except Exception as e: logging.warning(f"Error reading {file_path}: {str(e)}") return busco_version, lineage_info # Function to check and generate warning messages def generate_warning_paragraphs(expected, observed, trait): paragraphs = [] try: if trait == "Haploid size (bp)": expected_val = int(expected.replace(',', '')) observed_val = int(observed.replace(',', '')) if abs(expected_val - observed_val) / expected_val > 0.20: message = f". Observed {trait} has >20% difference with Expected" paragraphs.append(Paragraph(message, styles["midiStyle"])) elif trait in ["Haploid Number", "Ploidy"]: # Ensure both values are integers for comparison expected_val = int(expected) observed_val = int(observed) if expected_val != observed_val: message = f". Observed {trait} is different from Expected" paragraphs.append(Paragraph(message, styles["midiStyle"])) elif trait == "Sample Sex": # Compare case-insensitive and trimmed strings if expected.strip().lower() != observed.strip().lower(): message = ". Observed sex is different from Sample sex" paragraphs.append(Paragraph(message, styles["midiStyle"])) except Exception as e: logging.warning(f"Error in generating warning for {trait}: {str(e)}") return paragraphs # Generate warnings for curated haplotypes (qv, kcomp, busco) def generate_curated_warnings(haplotype, qv_value, completeness_value, busco_scores): paragraphs = [] try: # Ensure values are correctly interpreted as floats qv_val = float(qv_value) completeness_val = float(completeness_value) s_value = float(busco_scores[0].rstrip('%')) d_value = float(busco_scores[1].rstrip('%')) # Check QV value if qv_val < 40: message = f". QV value is less than 40 for {haplotype}" paragraphs.append(Paragraph(message, styles["midiStyle"])) # Check Kmer completeness value if completeness_val < 90: message = f". Kmer completeness value is less than 90 for {haplotype}" paragraphs.append(Paragraph(message, styles["midiStyle"])) # Check BUSCO s_value if s_value < 90: message = f". BUSCO single copy value is less than 90% for {haplotype}" paragraphs.append(Paragraph(message, styles["midiStyle"])) # Check BUSCO d_value if d_value > 5: message = f". BUSCO duplicated value is more than 5% for {haplotype}" paragraphs.append(Paragraph(message, styles["midiStyle"])) except Exception as e: logging.warning(f"Error in generating warnings for {haplotype}: {str(e)}") return paragraphs # Generate warnings for curated haplotypes (loss, gaps, 90inChrom) def generate_assembly_warnings(asm_data, gaps_per_gbp_data, obs_haploid_num): warnings = [] # Iterate over haplotypes and generate warnings based on the criteria for haplotype in asm_stages: pre_curation_bp = extract_total_bp_from_gfastats(asm_data['Pre-curation'][haplotype]['gfastats--nstar-report_txt']) curated_bp = extract_total_bp_from_gfastats(asm_data['Curated'][haplotype]['gfastats--nstar-report_txt']) scaffold_l90 = float(gfastats_data[('Curated', haplotype)][display_names.index('Scaffold L90')].replace(',', '')) # Check for assembly length loss > 3% if pre_curation_bp and curated_bp: loss_percentage = (float(pre_curation_bp.replace(',', '')) - float(curated_bp.replace(',', ''))) / float(pre_curation_bp.replace(',', '')) * 100 if loss_percentage > 3: warnings.append(Paragraph(f". Assembly length loss > 3% for {haplotype}", styles["midiStyle"])) # Check for more than 1000 gaps/Gbp gaps_gbp = gaps_per_gbp_data.get(('Curated', haplotype), 0) if gaps_gbp > 1000: warnings.append(Paragraph(f". More than 1000 gaps/Gbp for {haplotype}", styles["midiStyle"])) # Check if Scaffold L90 value is more than Observed Haploid number if scaffold_l90 > float(obs_haploid_num): warnings.append(Paragraph(f". Not 90% of assembly in chromosomes for {haplotype}", styles["midiStyle"])) return warnings # Parse pipeline and generate "tree" def generate_pipeline_tree(pipeline_data): tree_lines = [] indent = " " * 2 # Adjust indent spacing if isinstance(pipeline_data, dict): for tool, version_param in pipeline_data.items(): # Tool line tool_line = f"- <b>{tool}</b>" tree_lines.append(tool_line) # Convert version_param to string and split version_param_str = str(version_param) parts = version_param_str.split('/') version = parts[0] params = [p for p in parts[1:] if p] # This will remove empty strings # Version line version_line = f"{indent * 2}|_ <i>ver:</i> {version}" tree_lines.append(version_line) # Param line(s) if params: for param in params: param_line = f"{indent * 2}|_ <i>key param:</i> {param}" tree_lines.append(param_line) else: param_line = f"{indent * 2}|_ <i>key param:</i> NA" tree_lines.append(param_line) else: tree_lines.append("Invalid pipeline data format") # Join lines with HTML break for paragraph tree_diagram = "<br/>".join(tree_lines) return tree_diagram # Reading SAMPLE INFORMATION section from yaml ################################################ # Check for required fields required_fields = ["ToLID", "Species", "Sex", "Submitter", "Affiliation", "Tags"] missing_fields = [field for field in required_fields if field not in yaml_data or not yaml_data[field]] if missing_fields: logging.error(f"# GENERAL INFORMATION section in the yaml file is missing or empty for the following information: {', '.join(missing_fields)}") sys.exit(1) # Check that "Species" field is a string if not isinstance(yaml_data["Species"], str): logging.error(f"# GENERAL INFORMATION section in the yaml file contains incorrect data type for 'Species'. Expected 'str' but got '{type(yaml_data['Species']).__name__}'.") sys.exit(1) # Get data for Header, ToLID table and submitter tol_id = yaml_data["ToLID"] species = yaml_data["Species"] sex = yaml_data["Sex"] submitter = yaml_data["Submitter"] affiliation = yaml_data["Affiliation"] tags = yaml_data["Tags"] # Check if tag is valid valid_tags = ["ERGA-BGE", "ERGA-Pilot", "ERGA-Community", "ERGA-testing"] if tags not in valid_tags: tags += "[INVALID TAG]" logging.warning("# SAMPLE INFORMATION section in the yaml file contains an invalid tag. Valid tags are ERGA-BGE, ERGA-Pilot and ERGA-Community.") # Get data from GoaT based on species name # urllib.parse.quote to handle special characters and spaces in the species name species_name = requests.utils.quote(species) # Get stuff from GoaT goat_response = requests.get(f'https://goat.genomehubs.org/api/v2/search?query=tax_name%28{species_name}%29&result=taxon') goat_data = goat_response.json() # convert json to dict taxon_number = goat_data['results'][0]['result']['taxon_id'] goat_results = goat_data['results'] class_name = 'NA' order_name = 'NA' haploid_number = 'NA' haploid_source = 'NA' ploidy = 'NA' ploidy_source = 'NA' for result in goat_results: lineage = result['result']['lineage'] for node in lineage: if node['taxon_rank'] == 'class': class_name = node['scientific_name'] if node['taxon_rank'] == 'order': order_name = node['scientific_name'] goat_second_response = requests.get(f'https://goat.genomehubs.org/api/v2/record?recordId={taxon_number}&result=taxon&taxonomy=ncbi') goat_second_data = goat_second_response.json() ploidy_info = goat_second_data['records'][0]['record']['attributes']['ploidy'] ploidy = ploidy_info['value'] ploidy_source = ploidy_info['aggregation_source'] haploid_info = goat_second_data['records'][0]['record']['attributes']['haploid_number'] haploid_number = haploid_info['value'] haploid_source = haploid_info['aggregation_source'] sp_data = [ ["TxID", "ToLID", "Species", "Class", "Order"], [taxon_number, tol_id, species, class_name, order_name] ] # Transpose the data transposed_sp_data = list(map(list, zip(*sp_data))) # Reading SEQUENCING DATA section from yaml ################################################### # get DATA section from yaml data_list = yaml_data.get('DATA', []) # Prepare headers headers = ['Data'] data_values = ['Coverage'] # Extract data from YAML and format it for the table for item in data_list: for technology, coverage in item.items(): headers.append(technology) data_values.append('NA' if not coverage else coverage) # Create a list of lists for the table table_data = [headers, data_values] # Extract pipeline data asm_pipeline_data = yaml_data.get('PIPELINES', {}).get('Assembly', {}) curation_pipeline_data = yaml_data.get('PIPELINES', {}).get('Curation', {}) # Extract pipeline data from 'Curated' category asm_pipeline_tree = generate_pipeline_tree(asm_pipeline_data) curation_pipeline_tree = generate_pipeline_tree(curation_pipeline_data) # Reading GENOME PROFILING DATA section from yaml ############################################# profiling_data = yaml_data.get('PROFILING') # Check if profiling_data is available if not profiling_data: logging.error('Error: No profiling data found in the YAML file.') sys.exit(1) # Check for GenomeScope data (mandatory) genomescope_data = profiling_data.get('GenomeScope') if not genomescope_data: logging.error("Error: GenomeScope data is missing in the YAML file. This is mandatory.") sys.exit(1) genomescope_summary = genomescope_data.get('genomescope_summary_txt') if not genomescope_summary: logging.error("Error: GenomeScope summary file path is missing in the YAML file.") sys.exit(1) # Read the content of the GenomeScope summary file try: with open(genomescope_summary, "r") as f: summary_txt = f.read() # Extract values from summary.txt genome_haploid_length = re.search(r"Genome Haploid Length\s+([\d,]+) bp", summary_txt).group(1) proposed_ploidy = re.search(r"p = (\d+)", summary_txt).group(1) except Exception as e: logging.error(f"Error reading GenomeScope summary file: {str(e)}") sys.exit(1) # Check for Smudgeplot data (optional) smudgeplot_data = profiling_data.get('Smudgeplot') if smudgeplot_data: smudgeplot_summary = smudgeplot_data.get('smudgeplot_verbose_summary_txt') if smudgeplot_summary: try: with open(smudgeplot_summary, "r") as f: smud_summary_txt = f.readlines() for line in smud_summary_txt: if line.startswith("* Proposed ploidy"): proposed_ploidy = line.split(":")[1].strip() break except Exception as e: logging.warning(f"Error reading Smudgeplot summary file: {str(e)}. Using GenomeScope ploidy.") else: logging.warning("Smudgeplot summary file path is missing. Using GenomeScope ploidy.") else: logging.info("Smudgeplot data not provided. Using GenomeScope ploidy.") # Reading ASSEMBLY DATA section from yaml ##################################################### asm_data = yaml_data.get('ASSEMBLIES', {}) # make a list from the assemblies available in asm_data asm_stages = [] for asm_stage, stage_properties in asm_data.items(): for haplotypes in stage_properties.keys(): if haplotypes not in asm_stages: asm_stages.append(haplotypes) # get gfastats-based data gfastats_data = {} for asm_stage, stage_properties in asm_data.items(): for haplotypes, haplotype_properties in stage_properties.items(): if isinstance(haplotype_properties, dict): if 'gfastats--nstar-report_txt' in haplotype_properties: file_path = haplotype_properties['gfastats--nstar-report_txt'] with open(file_path, 'r') as file: content = file.read() gfastats_data[(asm_stage, haplotypes)] = extract_gfastats_values(content, keys) gaps_per_gbp_data = {} for (asm_stage, haplotypes), values in gfastats_data.items(): try: gaps = float(values[gaps_index]) total_length = float(values[total_length_index]) gaps_per_gbp = round((gaps / total_length * 1_000_000_000), 2) gaps_per_gbp_data[(asm_stage, haplotypes)] = gaps_per_gbp except (ValueError, ZeroDivisionError): gaps_per_gbp_data[(asm_stage, haplotypes)] = '' # Define the contigging table (column names) asm_table_data = [["Metrics"] + [f'{asm_stage} \n {haplotypes}' for asm_stage in asm_data for haplotypes in asm_stages if haplotypes in asm_data[asm_stage]]] # Fill the table with the gfastats data for i in range(len(display_names)): metric = display_names[i] if metric not in exclusion_list: asm_table_data.append([metric] + [format_number(gfastats_data.get((asm_stage, haplotypes), [''])[i]) if (asm_stage, haplotypes) in gfastats_data else '' for asm_stage in asm_data for haplotypes in asm_stages if haplotypes in asm_data[asm_stage]]) # Add the gaps/gbp in between asm_table_data.insert(gaps_index + 1, ['Gaps/Gbp'] + [format_number(gaps_per_gbp_data.get((asm_stage, haplotypes), '')) for asm_stage in asm_data for haplotypes in asm_stages if haplotypes in asm_data[asm_stage]]) # get QV, Kmer completeness and BUSCO data qv_data = {} completeness_data = {} busco_data = {metric: {} for metric in ['BUSCO sing.', 'BUSCO dupl.', 'BUSCO frag.', 'BUSCO miss.']} for asm_stage, stage_properties in asm_data.items(): asm_stage_elements = list(stage_properties.keys()) for i, haplotypes in enumerate(asm_stage_elements): haplotype_properties = stage_properties[haplotypes] if isinstance(haplotype_properties, dict): if 'merqury_qv' in haplotype_properties: qv_data[(asm_stage, haplotypes)] = get_qv_value(haplotype_properties['merqury_qv'], i, asm_stage, haplotypes) if 'merqury_completeness_stats' in haplotype_properties: completeness_data[(asm_stage, haplotypes)] = get_completeness_value(haplotype_properties['merqury_completeness_stats'], i, asm_stage, haplotypes) if 'busco_short_summary_txt' in haplotype_properties: s_value, d_value, f_value, m_value = extract_busco_values(haplotype_properties['busco_short_summary_txt']) busco_data['BUSCO sing.'].update({(asm_stage, haplotypes): s_value}) busco_data['BUSCO dupl.'].update({(asm_stage, haplotypes): d_value}) busco_data['BUSCO frag.'].update({(asm_stage, haplotypes): f_value}) busco_data['BUSCO miss.'].update({(asm_stage, haplotypes): m_value}) # Fill the table with the QV data asm_table_data.append(['QV'] + [qv_data.get((asm_stage, haplotypes), '') for asm_stage in asm_data for haplotypes in asm_stages if haplotypes in asm_data[asm_stage]]) # Fill the table with the Kmer completeness data asm_table_data.append(['Kmer compl.'] + [completeness_data.get((asm_stage, haplotypes), '') for asm_stage in asm_data for haplotypes in asm_stages if haplotypes in asm_data[asm_stage]]) # Fill the table with the BUSCO data for metric in ['BUSCO sing.', 'BUSCO dupl.', 'BUSCO frag.', 'BUSCO miss.']: asm_table_data.append([metric] + [busco_data[metric].get((asm_stage, haplotypes), '') for asm_stage in asm_data for haplotypes in asm_stages if haplotypes in asm_data[asm_stage]]) # Reading CURATION NOTES section from yaml #################################################### obs_haploid_num = yaml_data.get("NOTES", {}).get("Obs_Haploid_num", "NA") obs_sex = yaml_data.get("NOTES", {}).get("Obs_Sex", "NA") interventions_per_gb = yaml_data.get("NOTES", {}).get("Interventions_per_Gb", "NA") contamination_notes = yaml_data.get("NOTES", {}).get("Contamination_notes", "NA") other_notes = yaml_data.get("NOTES", {}).get("Other_notes", "NA") # Extract Total bp for each haplotype and find the maximum curated_assemblies = yaml_data.get('ASSEMBLIES', {}).get('Curated', {}) total_bp_values = [] for haplotype, properties in curated_assemblies.items(): if 'gfastats--nstar-report_txt' in properties: total_bp = extract_total_bp_from_gfastats(properties['gfastats--nstar-report_txt']) total_bp_values.append(total_bp) max_total_bp = max(total_bp_values, default='NA') # Create table data genome_traits_table_data = [ ["Genome Traits", "Expected", "Observed"], ["Haploid size (bp)", genome_haploid_length, f"{max_total_bp}"], ["Haploid Number", f"{haploid_number} (source: {haploid_source})", obs_haploid_num], ["Ploidy", f"{ploidy} (source: {ploidy_source})", proposed_ploidy], ["Sample Sex", sex, obs_sex] ] # Get curator notes curator_notes_text = ( f". Interventions/Gb: {interventions_per_gb}<br/>" f". Contamination notes: "{contamination_notes}"<br/>" f". Other observations: "{other_notes}"" ) # PDF CONSTRUCTION ############################################################################ # Set up the PDF file pdf_filename = "EAR.pdf" margin = 0.5 * 72 # 0.5 inch in points (normal margin is 1 inch) pdf = SimpleDocTemplate(pdf_filename, pagesize=A4, leftMargin=margin, rightMargin=margin, topMargin=margin, bottomMargin=margin) elements = [] # Set all the styles styles = getSampleStyleSheet() styles.add(ParagraphStyle(name='TitleStyle', fontName='Courier', fontSize=20)) styles.add(ParagraphStyle(name='subTitleStyle', fontName='Courier', fontSize=16)) styles.add(ParagraphStyle(name='normalStyle', fontName='Courier', fontSize=12)) styles.add(ParagraphStyle(name='midiStyle', fontName='Courier', fontSize=10)) # styles.add(ParagraphStyle(name='LinkStyle', fontName='Courier', fontSize=10, textColor='blue', underline=True)) styles.add(ParagraphStyle(name='treeStyle', fontName='Courier', fontSize=10, leftIndent=12)) styles.add(ParagraphStyle(name='miniStyle', fontName='Courier', fontSize=8)) styles.add(ParagraphStyle(name='FileNameStyle', fontName='Courier', fontSize=6)) # PDF SECTION 1 ------------------------------------------------------------------------------- # Add the title title = Paragraph("ERGA Assembly Report", styles['TitleStyle']) elements.append(title) # Spacer elements.append(Spacer(1, 12)) # Add version ver_paragraph = Paragraph(EAR_version, styles['normalStyle']) elements.append(ver_paragraph) # Spacer elements.append(Spacer(1, 12)) # Add tags tags_paragraph = Paragraph(f"Tags: {tags}", styles['normalStyle']) elements.append(tags_paragraph) # Spacer elements.append(Spacer(1, 24)) # Create the SPECIES DATA table with the transposed data sp_data_table = Table(transposed_sp_data) # Style the table sp_data_table.setStyle(TableStyle([ ("BACKGROUND", (0, 0), (0, -1), '#e7e7e7'), # Grey background for column 1 ("BACKGROUND", (1, 0), (1, -1), colors.white), # White background for column 2 ("ALIGN", (0, 0), (-1, -1), "CENTER"), ('FONTNAME', (0, 0), (0, 0), 'Courier'), # Regular font for row1, col1 ('FONTNAME', (1, 0), (1, 0), 'Courier'), ('FONTNAME', (0, 1), (-1, -1), 'Courier'), # Regular font for the rest of the table ('FONTNAME', (1, 1), (1, 1), 'Courier-Bold'), # Bold font for row1, col2 ("FONTSIZE", (0, 0), (-1, -1), 14), ('BOTTOMPADDING', (0, 0), (-1, -1), 8), ("GRID", (0, 0), (-1, -1), 0.5, colors.black) ])) # Add SPECIES DATA table elements.append(sp_data_table) # Spacer elements.append(Spacer(1, 32)) # Create the GENOME TRAITS table genome_traits_table = Table(genome_traits_table_data) # Style the table genome_traits_table.setStyle(TableStyle([ ('BACKGROUND', (0, 0), (0, -1), '#e7e7e7'), ('ALIGN', (0, 0), (-1, -1), 'CENTER'), ('FONTNAME', (0, 0), (-1, -1), 'Courier'), ('FONTSIZE', (0, 0), (-1, -1), 12), ('BOTTOMPADDING', (0, 0), (-1, -1), 8), ("GRID", (0, 0), (-1, -1), 0.5, colors.black) ])) # Add GENOME TRAITS table elements.append(genome_traits_table) # Spacer elements.append(Spacer(1, 28)) # Add EBP METRICS SECTION subtitle subtitle = Paragraph("EBP metrics summary and curation notes", styles['subTitleStyle']) elements.append(subtitle) # Spacer elements.append(Spacer(1, 24)) # Iterate over haplotypes in the Curated category to get data for EBP metrics curated_assemblies = yaml_data.get('ASSEMBLIES', {}).get('Curated', {}) haplotype_names = list(curated_assemblies.keys()) for haplotype in haplotype_names: properties = curated_assemblies[haplotype] if 'gfastats--nstar-report_txt' in properties and 'merqury_qv' in properties: gfastats_path = properties['gfastats--nstar-report_txt'] order = haplotype_names.index(haplotype) # Determine the order based on the position of the haplotype in the list qv_value = get_qv_value(properties['merqury_qv'], order, 'Curated', haplotype) ebp_quality_metric = compute_ebp_metric(haplotype, gfastats_path, qv_value) EBP_metric_paragraph = Paragraph(ebp_quality_metric, styles["midiStyle"]) # Add the EBP quality metric paragraph to elements elements.append(EBP_metric_paragraph) # Spacer elements.append(Spacer(1, 8)) # Add sentence Textline = Paragraph("The following metrics were automatically flagged as below EBP recommended standards or different from expected:", styles['midiStyle']) elements.append(Textline) # Spacer elements.append(Spacer(1, 4)) # Apply checks and add warning paragraphs to elements elements += generate_warning_paragraphs(genome_haploid_length, max_total_bp, "Haploid size (bp)") elements += generate_warning_paragraphs(haploid_number, obs_haploid_num, "Haploid Number") elements += generate_warning_paragraphs(proposed_ploidy, ploidy, "Ploidy") elements += generate_warning_paragraphs(sex, obs_sex, "Sample Sex") # Spacer elements.append(Spacer(1, 4)) # Iterate over haplotypes in the Curated category and apply checks for haplotype in haplotype_names: properties = curated_assemblies[haplotype] if isinstance(properties, dict) and 'merqury_qv' in properties and 'merqury_completeness_stats' in properties and 'busco_short_summary_txt' in properties: order = haplotype_names.index(haplotype) qv_value = get_qv_value(properties['merqury_qv'], order, "Curated", haplotype) completeness_value = get_completeness_value(properties['merqury_completeness_stats'], order, "Curated", haplotype) busco_scores = extract_busco_values(properties['busco_short_summary_txt']) warnings = generate_curated_warnings(haplotype, qv_value, completeness_value, busco_scores) elements += warnings assembly_warnings = generate_assembly_warnings(asm_data, gaps_per_gbp_data, obs_haploid_num) elements.extend(assembly_warnings) # Spacer elements.append(Spacer(1, 24)) # Add small subtitle for Curator notes subtitle = Paragraph("Curator notes", styles['normalStyle']) elements.append(subtitle) # Spacer elements.append(Spacer(1, 8)) # Curator notes curator_notes_paragraph = Paragraph(curator_notes_text, styles["midiStyle"]) elements.append(curator_notes_paragraph) # Page break elements.append(PageBreak()) # PDF SECTION 2 ------------------------------------------------------------------------------- # Add quality metrics section subtitle subtitle = Paragraph("Quality metrics table", styles['TitleStyle']) elements.append(subtitle) # Spacer elements.append(Spacer(1, 48)) # create QUALITY METRICS table asm_table = Table(asm_table_data) # Style the table asm_table.setStyle(TableStyle([ ('BACKGROUND', (0, 0), (-1, 0), '#e7e7e7'), # grey background for the header ('ALIGN', (0, 0), (-1, -1), 'CENTER'), # center alignment ('FONTNAME', (0, 0), (-1, -1), 'Courier'), # bold font for the header ('FONTSIZE', (0, 0), (-1, -1), 11), # font size ('BOTTOMPADDING', (0, 0), (-1, -1), 8), ("GRID", (0, 0), (-1, -1), 0.5, colors.black) ])) # Add QUALITY METRICS table elements.append(asm_table) # Spacer elements.append(Spacer(1, 5)) # Store BUSCO version and lineage information from each file in list busco_info_list = [] for asm_stages, stage_properties in asm_data.items(): for i, haplotype_properties in stage_properties.items(): if isinstance(haplotype_properties, dict): if 'busco_short_summary_txt' in haplotype_properties: busco_version, lineage_info = extract_busco_info(haplotype_properties['busco_short_summary_txt']) if busco_version and lineage_info: busco_info_list.append((busco_version, lineage_info)) # Checking if all elements in the list are identical if all(info == busco_info_list[0] for info in busco_info_list): busco_version, (lineage_name, num_genomes, num_buscos) = busco_info_list[0] elements.append(Paragraph(f"BUSCO {busco_version} Lineage: {lineage_name} (genomes:{num_genomes}, BUSCOs:{num_buscos})", styles['miniStyle'])) else: elements.append(Paragraph("Warning: BUSCO versions or lineage datasets are not the same across results", styles['miniStyle'])) logging.warning("WARNING!!! BUSCO versions or lineage datasets are not the same across results") # Page break elements.append(PageBreak()) # PDF SECTION 3 ------------------------------------------------------------------------------- # Add hic maps section subtitle subtitle = Paragraph("HiC contact map of curated assembly", styles['TitleStyle']) elements.append(subtitle) # Spacer elements.append(Spacer(1, 36)) # Initialize counter tool_count = 0 # Add title and images for each step for asm_stages, stage_properties in asm_data.items(): if asm_stages == 'Curated': tool_elements = list(stage_properties.keys()) images_with_names = [] for haplotype in tool_elements: haplotype_properties = stage_properties[haplotype] # Check if there is an image and/or a link png_file = haplotype_properties.get('hic_FullMap_png', '') link = haplotype_properties.get('hic_FullMap_link', '') # Prepare paragraphs for the image and link if png_file: # Create image object img = Image(png_file, width=11 * cm, height=11 * cm) images_with_names.append([img]) else: # Add paragraph for missing image missing_png_paragraph = Paragraph(f"<b>{haplotype}</b> HiC PNG is missing!", styles["midiStyle"]) images_with_names.append([missing_png_paragraph]) # Add paragraph for the link if link: link_html = f'<b>{haplotype}</b> <link href="{link}" color="blue">[LINK]</link>' else: link_html = f'<b>{haplotype}</b> File link is missing!' link_paragraph = Paragraph(link_html, styles["midiStyle"]) images_with_names.append([link_paragraph]) # Append a spacer only if the next element is an image if len(tool_elements) > 1 and tool_elements.index(haplotype) < len(tool_elements) - 1: images_with_names.append([Spacer(1, 12)]) # Add images and names to the elements in pairs for i in range(0, len(images_with_names), 4): # Process two images (and their names) at a time elements_to_add = images_with_names[i: i + 4] # Create table for the images and names table = Table(elements_to_add) table.hAlign = 'CENTER' elements.append(table) # Add a page break conditionally next_elements_start = i + 4 if next_elements_start < len(images_with_names): if len(images_with_names[next_elements_start]) > 0 and isinstance(images_with_names[next_elements_start][0], Image): elements.append(PageBreak()) tool_count += 1 elements.append(PageBreak()) # PDF SECTION 4 ------------------------------------------------------------------------------- # Add kmer spectra section subtitle subtitle = Paragraph("K-mer spectra of curated assembly", styles['TitleStyle']) elements.append(subtitle) # Spacer elements.append(Spacer(1, 48)) # Initialize counter counter = 0 # Iterate over haplotypes in the Curated category to get K-mer spectra images curated_assemblies = yaml_data.get('ASSEMBLIES', {}).get('Curated', {}) # Get paths for spectra files spectra_files = { 'hap1': { 'spectra_cn_png': curated_assemblies.get('hap1', {}).get('merqury_hap_spectra_cn_png', None), }, 'hap2': { 'spectra_cn_png': curated_assemblies.get('hap2', {}).get('merqury_hap_spectra_cn_png', None), }, 'common': { 'spectra_cn_png': curated_assemblies.get('hap1', {}).get('merqury_spectra_cn_png', None), 'spectra_asm_png': curated_assemblies.get('hap1', {}).get('merqury_spectra_asm_png', None), } } # Filter out None values and empty strings spectra_files = {k: {sk: v for sk, v in sv.items() if v} for k, sv in spectra_files.items()} # Determine the number of spectra-cn files and assign unique names if needed spectra_cn_files = [ spectra_files['common'].get('spectra_cn_png', None), spectra_files['hap1'].get('spectra_cn_png', None), spectra_files['hap2'].get('spectra_cn_png', None) ] spectra_cn_files = [f for f in spectra_cn_files if f] # Filter out None values if len(spectra_cn_files) == 3: # For 3 spectra-cn files shortest_spectra_cn_file = min(spectra_cn_files, key=lambda f: len(os.path.basename(f)), default=None) similar_files = [f for f in spectra_cn_files if f != shortest_spectra_cn_file] if similar_files: unique_name1, unique_name2 = find_unique_parts(os.path.basename(similar_files[0]), os.path.basename(similar_files[1])) else: shortest_spectra_cn_file = spectra_cn_files[0] if spectra_cn_files else None unique_name1 = unique_name2 = None # Create image objects and add filename below each image images = [] for label, file_dict in spectra_files.items(): for key, png_file in file_dict.items(): if png_file: image = Image(png_file, width=8.4 * cm, height=7 * cm) filename = os.path.basename(png_file) if filename.endswith("spectra-asm.ln.png"): text = "Distribution of k-mer counts coloured by their presence in reads/assemblies" elif filename.endswith("spectra-cn.ln.png"): if len(spectra_cn_files) == 3: # For 3 spectra-cn files use particular text if png_file == shortest_spectra_cn_file: text = "Distribution of k-mer counts per copy numbers found in asm (dipl.)" else: if png_file == spectra_files['hap1'].get('spectra_cn_png', None): text = f"Distribution of k-mer counts per copy numbers found in <b>{unique_name1}</b> (hapl.)" elif png_file == spectra_files['hap2'].get('spectra_cn_png', None): text = f"Distribution of k-mer counts per copy numbers found in <b>{unique_name2}</b> (hapl.)" else: text = "Distribution of k-mer counts per copy numbers found in asm" else: # For 2 spectra-cn files use same text text = "Distribution of k-mer counts per copy numbers found in asm" else: text = filename images.append([image, Paragraph(text, styles["midiStyle"])]) # Filter None values images = [img for img in images if img[0] is not None] # Get number of rows and columns for the table num_rows = (len(images) + 1) // 2 # +1 to handle odd numbers of images num_columns = 2 # Create the table with dynamic size image_table_data = [[images[i * num_columns + j] if i * num_columns + j < len(images) else [] for j in range(num_columns)] for i in range(num_rows)] image_table = Table(image_table_data) # Style the "table" table_style = TableStyle([ ('VALIGN', (0, 0), (-1, -1), 'MIDDLE'), ('BOTTOMPADDING', (0, 0), (-1, -1), 20), # 20 here is a spacer between rows ]) # Set the style image_table.setStyle(table_style) # Add image table to elements elements.append(image_table) # Increase counter by the number of PNGs added counter += len(images) # If counter is a multiple of 4, insert a page break and reset counter if counter % 4 == 0: elements.append(PageBreak()) # Add spacer elements.append(Spacer(1, 12)) # If we have processed all haps and the last page does not contain exactly 4 images, insert a page break if counter % 4 != 0: elements.append(PageBreak()) # PDF SECTION 5 ------------------------------------------------------------------------------- # Add contamination section subtitle subtitle = Paragraph("Post-curation contamination screening", styles['TitleStyle']) elements.append(subtitle) # Spacer elements.append(Spacer(1, 36)) # Initialize counter tool_count = 0 # Add title and images for each step for asm_stages, stage_properties in asm_data.items(): if asm_stages == 'Curated': # Check if the current stage is 'Curated' tool_elements = list(stage_properties.keys()) for haplotype in tool_elements: haplotype_properties = stage_properties[haplotype] if isinstance(haplotype_properties, dict) and 'blobplot_cont_png' in haplotype_properties: # Get image path png_file = haplotype_properties['blobplot_cont_png'] # If png_file is not empty, display it if png_file: # Create image object img = Image(png_file, width=20 * cm, height=20 * cm) elements.append(img) # Create paragraph for filename with haplotype name blob_text = f"<b>{haplotype}.</b> Bubble plot circles are scaled by sequence length, positioned by coverage and GC proportion, and coloured by taxonomy. Histograms show total assembly length distribution on each axis." blob_paragraph = Paragraph(blob_text, styles["midiStyle"]) elements.append(blob_paragraph) else: # Add paragraph for missing image missing_png_paragraph = Paragraph(f"<b>{haplotype}</b> PNG is missing!", styles["midiStyle"]) elements.append(missing_png_paragraph) # Add a page break after each image and its description elements.append(PageBreak()) tool_count += 1 # SECTION 6 ----------------------------------------------------------------------------------- # Add data profile section subtitle subtitle = Paragraph("Data profile", styles['TitleStyle']) elements.append(subtitle) # Spacer elements.append(Spacer(1, 24)) # Create the DATA PROFILE table data_table = Table(table_data) # Style the table data_table.setStyle(TableStyle([ ('BACKGROUND', (0, 0), (0, -1), '#e7e7e7'), # grey background for the first column ('ALIGN', (0, 0), (-1, -1), 'CENTER'), # center alignment ('FONTNAME', (0, 0), (-1, -1), 'Courier'), # remove bold font ('FONTSIZE', (0, 0), (-1, -1), 12), # font size for the header ('BOTTOMPADDING', (0, 0), (-1, -1), 8), ("GRID", (0, 0), (-1, -1), 0.5, colors.black) ])) # Add DATA PROFILE table elements.append(data_table) # Spacer elements.append(Spacer(1, 32)) # Add assembly pipeline section subtitle subtitle = Paragraph("Assembly pipeline", styles['TitleStyle']) elements.append(subtitle) # Spacer elements.append(Spacer(1, 24)) # Add ASM PIPELINE tree elements.append(Paragraph(asm_pipeline_tree, styles['treeStyle'])) # Spacer elements.append(Spacer(1, 32)) # Add curation pipeline section subtitle subtitle = Paragraph("Curation pipeline", styles['TitleStyle']) elements.append(subtitle) # Spacer elements.append(Spacer(1, 24)) # Add CURATION PIPELINE tree elements.append(Paragraph(curation_pipeline_tree, styles['treeStyle'])) # Spacer elements.append(Spacer(1, 48)) # Add submitter, affiliation submitter_paragraph_style = ParagraphStyle(name='SubmitterStyle', fontName='Courier', fontSize=10) elements.append(Paragraph(f"Submitter: {submitter}", submitter_paragraph_style)) elements.append(Paragraph(f"Affiliation: {affiliation}", submitter_paragraph_style)) # Spacer elements.append(Spacer(1, 8)) # Add the date and time (CET) of the document creation cet = pytz.timezone("CET") current_datetime = datetime.now(cet) formatted_datetime = current_datetime.strftime("%Y-%m-%d %H:%M:%S %Z") elements.append(Paragraph(f"Date and time: {formatted_datetime}", submitter_paragraph_style)) # Build the PDF ############################################################################### pdf.build(elements) if __name__ == "__main__": parser = argparse.ArgumentParser(description='Create an ERGA Assembly Report (EAR) from a YAML file. Visit https://github.com/ERGA-consortium/EARs for more information') parser.add_argument('yaml_file', type=str, help='Path to the YAML file') args = parser.parse_args() make_report(args.yaml_file)