# Copyright 2001 by Katharine Lindner. All rights reserved. # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. # standard library import sys import string import copy import array import os import re import sgmllib import urlparse # XML from python 2.0 from xml.sax import handler # Martel import Martel from Martel import RecordReader from Bio.ParserSupport import EventGenerator from Bio.ParserSupport import AbstractConsumer from Bio import File from Bio.Align.Generic import Alignment import Bio.Alphabet import ecell_format import Record """ Ecell converts the ECell input from spreadsheet format to an intermediate format, described in http://www.e-cell.org/manual/chapter2E.html#3.2. It provides an alternative to the perl script supplied with the Ecell2 distribution at http://bioinformatics.org/project/?group_id=49. ECell expects a spreadsheet exported in delimited text format. The file should be read with FilteredReader using the default filter chain to remove extraneous characters. """ class Error( Exception ): """ """ def __init__( self ): pass class ECellError( Error ): """ message - description of error """ def __init__( self, message ): self.message = message class Iterator: """Iterator interface to move over a file of ecell entries one at a time. """ def __init__(self, handle, parser = None): """Initialize the iterator. Arguments: o handle - A handle with ECell entries to iterate through. o parser - An optional parser to pass the entries through before returning them. If None, then the raw entry will be returned. """ self.handle = File.UndoHandle( handle ) self._reader = RecordReader.Everything( self.handle ) self._parser = parser def next(self): """Return the next ecell record from the handle. Will return None if we ran out of records. """ data = self._reader.next() if self._parser is not None: if data: dumpfile = open( 'dump', 'w' ) dumpfile.write( data ) dumpfile.close() return self._parser.parse(File.StringHandle(data)) return data def __iter__(self): return iter(self.next, None) class _Scanner: """Start up Martel to do the scanning of the file. This initialzes the Martel based parser and connects it to a handler that will generate events for a Feature Consumer. """ def __init__(self, debug = 0): """Initialize the scanner by setting up our caches. Creating the parser takes a long time, so we want to cache it to reduce parsing time. Arguments: o debug - The level of debugging that the parser should display. Level 0 is no debugging, Level 2 displays the most debugging info (but is much slower). See Martel documentation for more info on this. """ # a listing of all tags we are interested in scanning for # in the MartelParser self.interest_tags = [ 'header_line', 'system_line', 'substance_multiline', \ 'reactor_multiline', 'include_line' ] # make a parser that returns only the tags we are interested in expression = Martel.select_names( ecell_format.ecell_record, self.interest_tags) self._parser = expression.make_parser(debug_level = debug) def feed(self, handle, consumer): """Feed a set of data into the scanner. Arguments: o handle - A handle with the information to parse. o consumer - The consumer that should be informed of events. """ self._parser.setContentHandler( EventGenerator(consumer, self.interest_tags)) # self._parser.setErrorHandler(handle.ErrorHandler()) self._parser.parseFile(handle) class _RecordConsumer: """Create an ECell Record object from scanner generated information. """ def __init__(self): self.data = Record.Record() self._header = [] self._database = {} self._state = '' def include_line( self, line ): self.data.include_buf = self.data.include_buf + line def header_line( self, lines ): for line in lines: items = line.split( '\t') items[ 0 ] = items[ 0 ].lower() self._header = [] self._state = items[ 0 ] for item in items: item = item.strip() self._header.append( item.lower() ) def system_line( self, lines ): for line in lines: line_dict = self._make_line_dict( line ) if( not self._check_missing_header( line_dict ) ): raise EcellError( "invalid header" ) self.data.num_systems = self.data.num_systems + 1 _set_defaults( line_dict ) self._build_system_entry( line_dict ) def substance_multiline( self, multiline ): for line in multiline: self.parse_substance_lines( line ) def parse_substance_lines( self, multiline ): lines = multiline.splitlines() line_no = 0 for line in lines: line_dict = self._make_line_dict( line ) try: if( not _is_valid_substance( line_dict ) ): raise ECellError( "quantity and concentration are mutually exclusive" ) except ECellError, e: print sys.stderr, e.message qty = Record.get_entry( line_dict, 'qty' ) conc = Record.get_entry( line_dict, 'conc' ) if( ( qty.lower() != 'fix' ) and ( conc.lower() != 'fix' ) ): self.data.num_substances = self.data.num_substances + 1 else: line_no = line_no + 1 if( line.lower().startswith( 'substance' ) ): _set_defaults( line_dict ) self._convert_conc( line_dict ) self._build_substance_entry( line_dict, line_no ) def reactor_multiline( self, multiline ): for line in multiline: self.parse_reactor_lines( line ) def parse_reactor_lines( self, multiline ): lines = multiline.splitlines() for line in lines: line_dict = self._make_line_dict( line ) if( line.lower().startswith( 'reactor' ) ): if( not self._check_missing_header( line_dict ) ): raise ECellError( "invalid header" ) try: if( not is_only_digits( line_dict[ 's_coeff' ] ) ): raise ECellError( 's_coeff must contain only digits' ) if( not is_only_digits( line_dict[ 'p_coeff' ] ) ): raise ECellError( 'p_coeff must contain only digits' ) except KeyError: pass if( line.lower().startswith( 'reactor' ) ): _set_reactor_defaults( line_dict ) line_dict = self._remove_if_inconsistent( line_dict ) if( line_dict.has_key( 'class' ) ): self.data.num_reactors = self.data.num_reactors + 1 num_substrates = 0 num_products = 0 num_catalysts = 0 num_effectors = 0 num_options = 0 num_args = 0 if( line_dict.has_key( 's_id' ) ): num_substrates = num_substrates + 1 if( line_dict.has_key( 'p_id' ) ): num_products = num_products + 1 if( line_dict.has_key( 'c_id' ) ): num_catalysts = num_catalysts + 1 if( line_dict.has_key( 'e_id' ) ): num_effectors = num_effectors + 1 if( line_dict.has_key( 'o_type' ) ): num_options = num_options + 1 if( line_dict.has_key( 'arg_tag' ) ): num_args = num_args + 1 counter_dict = { \ 's_' : num_substrates, \ 'p_' : num_products, \ 'c_' : num_catalysts, \ 'e_' : num_effectors, \ 'o_' : num_options, \ 'arg_tag' : num_args } self._set_max( counter_dict ) self._build_reactor_entry( line_dict, counter_dict ) def _set_max( self, counter_dict ): num_reactors = self.data.num_reactors for key in counter_dict.keys(): composite_key = key + str( num_reactors ) self.data._max_dict[ composite_key ] = counter_dict[ key ] def _build_system_entry( self, line_dict ): for key in line_dict.keys(): item = line_dict[ key ] composite_key = 'system' + str( self.data.num_systems ) + key + '0' if( not self.data.cell_dict.has_key( composite_key ) ): self.data.cell_dict[ composite_key ] = item def _build_substance_entry( self, line_dict, line_no ): for key in line_dict.keys(): item = line_dict[ key ] composite_key = 'substance' + str( self.data.num_substances ) + key + \ str( line_no ) if( not self.data.cell_dict.has_key( composite_key ) ): self.data.cell_dict[ composite_key ] = item def _convert_conc( self, line_dict ): if( line_dict.has_key( 'conc' ) ): if( not line_dict.has_key( 'qty' ) ): contents = 'QTY(%s,%s)' % ( line_dict[ 'conc' ], line_dict[ 'path' ] ) composite_key = 'substance' + str( self.data.num_substances ) + 'qty' + '0' self.data.cell_dict[ composite_key ] = contents self.data.contains_concentration = 1 def _build_reactor_entry( self, line_dict, counter_dict ): for key in line_dict.keys(): item = line_dict[ key ] prefix = key[ :2 ] if( key.startswith( 'arg_' ) ): index = counter_dict[ 'arg_tag' ] elif( counter_dict.has_key( prefix ) ): index = counter_dict[ prefix ] else: index = '0' composite_key = 'reactor' + str( self.data.num_reactors ) + str( key ) + str( index ) if( not self.data.cell_dict.has_key( composite_key ) ): self.data.cell_dict[ composite_key ] = item def _check_missing_header( self, line_dict ): ok = 1 items = [ 'id', 'path', 'class' ] for item in items: if( line_dict.has_key( item ) == 0 ): others = copy.deepcopy( items ) others.remove( item ) for other in others: if( line_dict.has_key( other ) ): if( item.lower() != 'class' ): ok = 0 break return ok def _remove_if_inconsistent( self, list_dict ): valid_keys = list_dict.keys() for label in [ 'id', 'path', 'type' ]: for prefix in [ 's_', 'p_', 'c_', 'e_' ]: node = prefix + label valid_keys = self._consistency_filter( prefix, node, valid_keys ) for key in list_dict.keys(): if( not key in valid_keys ): del list_dict[ key ] return list_dict def _consistency_filter( self, prefix, tag, valid_keys ): block = [] for suffix in [ 'id', 'path', 'coeff', 'type' ]: node = prefix + suffix block.append( node ) for node in block: if( ( not tag in valid_keys ) and ( node in valid_keys ) ): if( ( prefix == 'o_' ) or ( not tag.endswith( 'type' ) ) ): valid_keys.remove( node ) return valid_keys def _make_line_dict( self, line ): line_dict = {} items = line.split( '\t' ) num = 0 for item in items: item = item.strip() if( item != '' ): line_dict[ self._header[ num ] ] = item num = num + 1 return line_dict def _clear_bad_block( block, items ): for label in block: items = items.remove( items.index( label ) ) return items def _is_valid_substance( line_dict ): ok = 1 if( line_dict.has_key( 'qty' ) and line_dict.has_key( 'conc' ) ): if( not ( line_dict[ 'qty' ] == 'QTY' ) ): ok = 0 return ok def is_only_digits( line ): ok = 1 text = line.strip() if( text != '' ): if( not text.isdigit() ): ok = 0 return ok def _set_reactor_defaults( line_dict ): line_dict = _set_defaults( line_dict ) for item in [ 's_', 'p_', 'c_', 'e_' ]: id = item + 'id' coeff = item + 'coeff' path = item + 'path' if( line_dict.has_key( id ) ): if( not line_dict.has_key( coeff ) ): line_dict[ coeff ] = 1 if( not line_dict.has_key( path ) ): line_dict[ path ] = line_dict[ 'path' ] return( line_dict ) def _set_defaults( line_dict ): if( not line_dict.has_key( 'name' ) ): line_dict[ 'name' ] = line_dict[ 'id' ] if( line_dict.has_key( 'arg_tag' ) ): if( not line_dict.has_key( 'arg_coeff' ) ): line_dict[ 'arg_coeff' ] = 0 return( line_dict ) class RecordParser: """Parse ECell files into Record objects """ def __init__(self, debug_level = 0): """Initialize the parser. Arguments: o debug_level - An optional argument that specifies the amount of debugging information Martel should spit out. By default we have no debugging info (the fastest way to do things), but if you want you can set this as high as two and see exactly where a parse fails. """ self._scanner = _Scanner(debug_level) def parse(self, handle): """Parse the specified handle into an ECell record. """ self._consumer = _RecordConsumer() self._scanner.feed(handle, self._consumer) return self._consumer.data