# HG changeset patch # User iracooke # Date 1357517242 18000 # Node ID c10a62c886b8c5a3d1341231c2b7419e1d0aa1ca Uploaded diff -r 000000000000 -r c10a62c886b8 datatypes_conf.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/datatypes_conf.xml Sun Jan 06 19:07:22 2013 -0500 @@ -0,0 +1,48 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff -r 000000000000 -r c10a62c886b8 display_applications/proteomics/PepXml.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/display_applications/proteomics/PepXml.xml Sun Jan 06 19:07:22 2013 -0500 @@ -0,0 +1,18 @@ + + + + + + + ${site_url}/init_local?file=${encoded_filename.qp}&type=pepxml + + + + #import binascii + ${binascii.hexlify( $pepxml_file.file_name )} + + + ${BASE_URL.split(":")[1][2:]} + + + diff -r 000000000000 -r c10a62c886b8 display_applications/proteomics/ProtXml.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/display_applications/proteomics/ProtXml.xml Sun Jan 06 19:07:22 2013 -0500 @@ -0,0 +1,18 @@ + + + + + + + ${site_url}/init_local?file=${encoded_filename.qp}&type=protxml + + + + #import binascii + ${binascii.hexlify( $protxml_file.file_name )} + + + ${BASE_URL.split(":")[1][2:]} + + + \ No newline at end of file diff -r 000000000000 -r c10a62c886b8 display_applications/proteomics/mzML.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/display_applications/proteomics/mzML.xml Sun Jan 06 19:07:22 2013 -0500 @@ -0,0 +1,18 @@ + + + + + + + ${site_url}/init_local?file=${encoded_filename.qp}&type=mzml + + + + #import binascii + ${binascii.hexlify( $mzml_file.file_name )} + + + ${BASE_URL.split(":")[1][2:]} + + + \ No newline at end of file diff -r 000000000000 -r c10a62c886b8 pepxml_to_table.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/pepxml_to_table.xml Sun Jan 06 19:07:22 2013 -0500 @@ -0,0 +1,23 @@ + + protkgem + Converts a pepXML file to a tab delimited text file + + + +pepxml_to_table.rb $input_file -o $output + + + + + + + + + + + + + Convert a pepXML file to Tab delimited text + + + diff -r 000000000000 -r c10a62c886b8 proteomics.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/proteomics.py Sun Jan 06 19:07:22 2013 -0500 @@ -0,0 +1,251 @@ +""" +Proteomics format classes +""" +import logging +import re +from galaxy.datatypes.data import * +from galaxy.datatypes.xml import * +from galaxy.datatypes.sniff import * +from galaxy.datatypes.binary import * + +log = logging.getLogger(__name__) + + +class Xls( Binary ): + """Class describing a binary excel spreadsheet file""" + file_ext = "xls" + + def set_peek( self, dataset, is_multi_byte=False ): + if not dataset.dataset.purged: + dataset.peek = "Excel Spreadsheet file" + dataset.blurb = data.nice_size( dataset.get_size() ) + else: + dataset.peek = 'file does not exist' + dataset.blurb = 'file purged from disk' + def display_peek( self, dataset ): + try: + return dataset.peek + except: + return "Binary xls file (%s)" % ( data.nice_size( dataset.get_size() ) ) + +class ProteomicsXml(GenericXml): + """ An enhanced XML datatype used to reuse code across several + proteomic/mass-spec datatypes. """ + + def sniff(self, filename): + """ Determines whether the file is the correct XML type. """ + with open(filename, 'r') as contents: + while True: + line = contents.readline() + if line == None or not line.startswith('max_lines: + return False + + +class MascotDat( Text ): + """Mascot search results """ + file_ext = "mascotdat" + + def set_peek( self, dataset, is_multi_byte=False ): + """Set the peek and blurb text""" + if not dataset.dataset.purged: + dataset.peek = data.get_file_peek( dataset.file_name, is_multi_byte=is_multi_byte ) + dataset.blurb = 'mascotdat Mascot Search Results' + else: + dataset.peek = 'file does not exist' + dataset.blurb = 'file purged from disk' + + + def sniff( self, filename ): + mime_version = "MIME-Version: 1.0 (Generated by Mascot version 1.0)" + max_lines=10 + + for i, line in enumerate( file( filename ) ): + line = line.rstrip( '\n\r' ) + if line==mime_version: + return True + if i>max_lines: + return False + + +class RAW( Binary ): + """Class describing a Thermo Finnigan binary RAW file""" + file_ext = "raw" + def sniff( self, filename ): + # Thermo Finnigan RAW format is proprietary and hence not well documented. + # Files start with 2 bytes that seem to differ followed by F\0i\0n\0n\0i\0g\0a\0n + # This combination represents 17 bytes, but to play safe we read 20 bytes from + # the start of the file. + try: + header = open( filename ).read(20) + hexheader = binascii.b2a_hex( header ) + finnigan = binascii.hexlify( 'F\0i\0n\0n\0i\0g\0a\0n' ) + if hexheader.find(finnigan) != -1: + return True + return False + except: + return False + def set_peek( self, dataset, is_multi_byte=False ): + if not dataset.dataset.purged: + dataset.peek = "Thermo Finnigan RAW file" + dataset.blurb = data.nice_size( dataset.get_size() ) + else: + dataset.peek = 'file does not exist' + dataset.blurb = 'file purged from disk' + def display_peek( self, dataset ): + try: + return dataset.peek + except: + return "Thermo Finnigan RAW file (%s)" % ( data.nice_size( dataset.get_size() ) ) + + +if hasattr(Binary, 'register_sniffable_binary_format'): + Binary.register_sniffable_binary_format('RAW', 'RAW', RAW) + + +class Msp(Text): + """ Output of NIST MS Search Program chemdata.nist.gov/mass-spc/ftp/mass-spc/PepLib.pdf """ + file_ext = "msp" + + @staticmethod + def next_line_starts_with(contents, prefix): + next_line = contents.readline() + return next_line != None and next_line.startswith(prefix) + + def sniff(self, filename): + """ Determines whether the file is a NIST MSP output file. + + >>> fname = get_test_fname('test.msp') + >>> Msp().sniff(fname) + True + >>> fname = get_test_fname('test.mzXML') + >>> Msp().sniff(fname) + False + """ + with open(filename, 'r') as contents: + return Msp.next_line_starts_with(contents, "Name:") and Msp.next_line_starts_with(contents, "MW:") + +class Ms2(Text): + file_ext = "ms2" + + def sniff(self, filename): + """ Determines whether the file is a valid ms2 file. + + >>> fname = get_test_fname('test.msp') + >>> Ms2().sniff(fname) + False + >>> fname = get_test_fname('test.ms2') + >>> Ms2().sniff(fname) + True + """ + + with open(filename, 'r') as contents: + header_lines = [] + while True: + line = contents.readline() + if line == None or len(line) == 0: + pass + elif line.startswith('H\t'): + header_lines.append(line) + else: + break + for header_field in ['CreationDate', 'Extractor', 'ExtractorVersion', 'ExtractorOptions']: + found_header = False + for header_line in header_lines: + if header_line.startswith('H\t%s' % (header_field)): + found_header = True + break + if not found_header: + return False + + return True + +# unsniffable binary format, should do something about this +class XHunterAslFormat(Binary): + """ Annotated Spectra in the HLF format http://www.thegpm.org/HUNTER/format_2006_09_15.html """ + file_ext = "hlf" + + +if hasattr(Binary, 'register_unsniffable_binary_ext'): + Binary.register_unsniffable_binary_ext('hlf') diff -r 000000000000 -r c10a62c886b8 tool-data/protk_display_site.txt.sample --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tool-data/protk_display_site.txt.sample Sun Jan 06 19:07:22 2013 -0500 @@ -0,0 +1,3 @@ +#Proteomic Visualization application should be hosted on the same server as galaxy +#Entries in this file are of the format "site_id" site_url +Proteomics Visualize http://127.0.0.1:8500