# Copyright 2017-2019 Damien Goutte-Gattat. All rights reserved. # # This file is part of the Biopython distribution and governed by your # choice of the "Biopython License Agreement" or the "BSD 3-Clause License". # Please see the LICENSE file that should have been included as part of this # package. """Bio.SeqIO support for the SnapGene file format. The SnapGene binary format is the native format used by the SnapGene program from GSL Biotech LLC. """ from datetime import datetime from re import sub from struct import unpack from xml.dom.minidom import parseString from Bio.Seq import Seq from Bio.SeqFeature import SeqFeature from Bio.SeqFeature import SimpleLocation from Bio.SeqRecord import SeqRecord from .Interfaces import SequenceIterator def _iterate(handle): """Iterate over the packets of a SnapGene file. A SnapGene file is made of packets, each packet being a TLV-like structure comprising: - 1 single byte indicating the packet's type; - 1 big-endian long integer (4 bytes) indicating the length of the packet's data; - the actual data. """ while True: packet_type = handle.read(1) if len(packet_type) < 1: # No more packet return packet_type = unpack(">B", packet_type)[0] length = handle.read(4) if len(length) < 4: raise ValueError("Unexpected end of packet") length = unpack(">I", length)[0] data = handle.read(length) if len(data) < length: raise ValueError("Unexpected end of packet") yield (packet_type, length, data) def _parse_dna_packet(length, data, record): """Parse a DNA sequence packet. A DNA sequence packet contains a single byte flag followed by the sequence itself. """ if record.seq: raise ValueError("The file contains more than one DNA packet") flags, sequence = unpack(">B%ds" % (length - 1), data) record.seq = Seq(sequence.decode("ASCII")) record.annotations["molecule_type"] = "DNA" if flags & 0x01: record.annotations["topology"] = "circular" else: record.annotations["topology"] = "linear" def _parse_notes_packet(length, data, record): """Parse a 'Notes' packet. This type of packet contains some metadata about the sequence. They are stored as a XML string with a 'Notes' root node. """ xml = parseString(data.decode("UTF-8")) type = _get_child_value(xml, "Type") if type == "Synthetic": record.annotations["data_file_division"] = "SYN" else: record.annotations["data_file_division"] = "UNC" date = _get_child_value(xml, "LastModified") if date: record.annotations["date"] = datetime.strptime(date, "%Y.%m.%d") acc = _get_child_value(xml, "AccessionNumber") if acc: record.id = acc comment = _get_child_value(xml, "Comments") if comment: record.name = comment.split(" ", 1)[0] record.description = comment if not acc: record.id = record.name def _parse_cookie_packet(length, data): """Parse a SnapGene cookie packet. Every SnapGene file starts with a packet of this type. It acts as a magic cookie identifying the file as a SnapGene file. """ cookie, seq_type, exp_version, imp_version = unpack(">8sHHH", data) if cookie.decode("ASCII") != "SnapGene": raise ValueError("The file is not a valid SnapGene file") def _parse_location(rangespec, strand, record, is_primer=False): start, end = (int(x) for x in rangespec.split("-")) # Account for SnapGene's 1-based coordinates start = start - 1 if is_primer: # Primers' coordinates in SnapGene files are shifted by -1 # for some reasons start += 1 end += 1 if start >= end: # Range wrapping the end of the sequence l1 = SimpleLocation(start, len(record), strand=strand) l2 = SimpleLocation(0, end, strand=strand) location = l1 + l2 else: location = SimpleLocation(start, end, strand=strand) return location def _parse_features_packet(length, data, record): """Parse a sequence features packet. This packet stores sequence features (except primer binding sites, which are in a dedicated Primers packet). The data is a XML string starting with a 'Features' root node. """ xml = parseString(data.decode("UTF-8")) for feature in xml.getElementsByTagName("Feature"): quals = {} type = _get_attribute_value(feature, "type", default="misc_feature") strand = +1 directionality = int( _get_attribute_value(feature, "directionality", default="1") ) if directionality == 2: strand = -1 location = None subparts = [] n_parts = 0 for segment in feature.getElementsByTagName("Segment"): if _get_attribute_value(segment, "type", "standard") == "gap": continue rng = _get_attribute_value(segment, "range") n_parts += 1 next_location = _parse_location(rng, strand, record) if location is None: location = next_location elif strand == -1: # Reverse segments order for reverse-strand features location = next_location + location else: location = location + next_location name = _get_attribute_value(segment, "name") if name: subparts.append([n_parts, name]) if len(subparts) > 0: # Add a "parts" qualifiers to represent "named subfeatures" if strand == -1: # Reverse segment indexes and order for reverse-strand features subparts = reversed([[n_parts - i + 1, name] for i, name in subparts]) quals["parts"] = [";".join(f"{i}:{name}" for i, name in subparts)] if not location: raise ValueError("Missing feature location") for qualifier in feature.getElementsByTagName("Q"): qname = _get_attribute_value( qualifier, "name", error="Missing qualifier name" ) qvalues = [] for value in qualifier.getElementsByTagName("V"): if value.hasAttribute("text"): qvalues.append(_decode(value.attributes["text"].value)) elif value.hasAttribute("predef"): qvalues.append(_decode(value.attributes["predef"].value)) elif value.hasAttribute("int"): qvalues.append(int(value.attributes["int"].value)) # Remove linebreaks that may mess up formatting to GenBank qvalues = [ sub(r"\r\n|\r|\n", " ", v).strip() if isinstance(v, str) else v for v in qvalues ] quals[qname] = qvalues name = _get_attribute_value(feature, "name") if name: if "label" not in quals: # No explicit label attribute, use the SnapGene name quals["label"] = [name] elif name not in quals["label"]: # The SnapGene name is different from the label, # add a specific attribute to represent it quals["name"] = [name] feature = SeqFeature(location, type=type, qualifiers=quals) record.features.append(feature) def _parse_primers_packet(length, data, record): """Parse a Primers packet. A Primers packet is similar to a Features packet but specifically stores primer binding features. The data is a XML string starting with a 'Primers' root node. Within the Primers packet, a primer can have multiple BindingSite elements. However, not all of them are shown to the user when the file is opened SnapGene. This seems to depend on the HybridizationParams element, which stores a minimal hybridization length and Tm. When a SnapGene file is parsed, `primer_bind` features that do not meet the hybridization parameters are dropped, since they are not shown to the user when the file is opened in SnapGene. For more details, see #5053. """ xml = parseString(data.decode("UTF-8")) min_match_length = 0 min_melting_temp = 0 for param in xml.getElementsByTagName("HybridizationParams"): min_match_length = int( _get_attribute_value(param, "minContinuousMatchLen", default="0") ) min_melting_temp = int( _get_attribute_value(param, "minMeltingTemperature", default="0") ) for primer in xml.getElementsByTagName("Primer"): quals = {} name = _get_attribute_value(primer, "name") if name: quals["label"] = [name] locations = [] for site in primer.getElementsByTagName("BindingSite"): rng = _get_attribute_value( site, "location", error="Missing binding site location" ) strand = int(_get_attribute_value(site, "boundStrand", default="0")) if strand == 1: strand = -1 else: strand = +1 location = _parse_location(rng, strand, record, is_primer=True) simplified = int(_get_attribute_value(site, "simplified", default="0")) == 1 if simplified and location in locations: # Duplicate "simplified" binding site, ignore continue annealed = _get_attribute_value(site, "annealedBases") if annealed is not None and len(annealed) < min_match_length: continue melting_temp = _get_attribute_value(site, "meltingTemperature") if melting_temp is not None and int(melting_temp) < min_melting_temp: continue locations.append(location) feature = SeqFeature( location, type="primer_bind", qualifiers=quals, ) record.features.append(feature) _packet_handlers = { 0x00: _parse_dna_packet, 0x05: _parse_primers_packet, 0x06: _parse_notes_packet, 0x0A: _parse_features_packet, } # Helper functions to process the XML data in # some of the segments def _decode(text): # Get rid of HTML tags in some values return sub("<[^>]+>", "", text) def _get_attribute_value(node, name, default=None, error=None): if node.hasAttribute(name): return _decode(node.attributes[name].value) elif error: raise ValueError(error) else: return default def _get_child_value(node, name, default=None, error=None): children = node.getElementsByTagName(name) if ( children and children[0].childNodes and children[0].firstChild.nodeType == node.TEXT_NODE ): return _decode(children[0].firstChild.data) elif error: raise ValueError(error) else: return default class SnapGeneIterator(SequenceIterator): """Parser for SnapGene files.""" modes = "b" def __init__(self, source): """Parse a SnapGene file and return a SeqRecord object. Argument source is a file-like object or a path to a file. Note that a SnapGene file can only contain one sequence, so this iterator will always return a single record. """ super().__init__(source, fmt="SnapGene") self.packets = _iterate(self.stream) try: packet_type, length, data = next(self.packets) except StopIteration: raise ValueError("Empty file.") from None if packet_type != 0x09: raise ValueError("The file does not start with a SnapGene cookie packet") _parse_cookie_packet(length, data) def __next__(self): packets = self.packets if packets is None: raise StopIteration record = SeqRecord(None) for packet in packets: packet_type, length, data = packet handler = _packet_handlers.get(packet_type) if handler is not None: handler(length, data, record) if not record.seq: raise ValueError("No DNA packet in file") self.packets = None # A SnapGene file contains only one sequence return record