#!/opt/conda/conda-bld/biocode_1660685443970/_h_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_place/bin/python

"""
Converts the btab output of AAT (nap/gap2) to GFF3 format with option-dependent modeling.

Example input:
jcf7180000787896        Aug 28 2013     16242   /usr/local/packages/aat/nap     /usr/local/projects/mucormycosis/protein_alignments/fungi_jgi/fungi_jgi.faa     jgi|Rhior3|10928|RO3G_01207     1       103     1162    1198    25.000000       41.666667       15      1       1               -1      Plus    1484
jcf7180000787896        Aug 28 2013     16242   /usr/local/packages/aat/nap     /usr/local/projects/mucormycosis/protein_alignments/fungi_jgi/fungi_jgi.faa     jgi|Rhior3|10928|RO3G_01207     870     1729    1198    1484    91.958042       93.356643       1384    1       2               -1      Plus    1484

The output here depends on the export mode requested.  See the OUTPUT section below.

On the other hand, if you specify --export_mode=match you'll get individual rows where the feature
type is 'nucleotide_to_protein_match' and where the ID attributes of each chain are shared across
multiple segments.  This is the expected format for tools like EVM (EVidenceModeler).

INPUT BTAB

BTAB from nap has these columns:

0	qry name	cpa1.assem.1
1	date	Jan 25 2005
2	query length	15235
3	analysis tool	/usr/local/bin/nap
4	database	/usr/local/db/panda/AllGroup/AllGroup.niaa
5	db match accession	GB|BAA97098.1|8777580|AP002460
6	qry start	5416
7	qry stop	5280
8	hit start	1
9	hit stop	46
10	percent identity	28.888889
11	percent similarity	60.000000
12	domain score	70
13	chain number	1
14	segment number	1
15	db match name	unnamed protein product; gene_id:F1D9.26 unknown protein {Arabidopsis thaliana;}
16	???	-1
17	qry strand	Minus
18	total score	260


OUTPUT general considerations

One annoyance of AAT is that the default output contains the full FASTA header for each input
sequence rather than just the ID portion of it.  This script strips everything out of the ID
column after the first whitespace.


OUTPUT --export_mode=model (the default)

The output will look like:

jcf7180000787896        nap     gene    1       1729    .       +       .       ID=gene.000001
jcf7180000787896        nap     mRNA    1       1729    .       +       .       ID=mRNA.000001;Parent=gene.000001
jcf7180000787896        nap     exon    1       103     .       +       .       ID=exon.000001;Parent=mRNA.000001
jcf7180000787896        nap     CDS     1       103     .       +       0       ID=exon.000001;Parent=mRNA.000001
jcf7180000787896        nap     exon    870     1729    .       +       .       ID=exon.000002;Parent=mRNA.000001
jcf7180000787896        nap     CDS     870     1729    .       +       0       ID=exon.000002;Parent=mRNA.000010


OUTPUT --export_mode=match

Using this value, you'll get individual rows where the feature type is 'nucleotide_to_protein_match' 
and where the ID attributes of each chain are shared across multiple segments.  This is the expected 
format for tools like EVM (EVidenceModeler).

EXAMPLE HERE


OUTPUT --export_mode=match_and_parts

The GFF3 specification provides two different ways of modeling alignments.  The first ('match' mode above)
uses the same type where each segment of the aligment shares the same ID.  The other instead uses
a parent feature (still a nucleotide_to_protein_match) but uses subfeature 'match_part' rows to model
each segment of the match.  These each of unique IDs.

EXAMPLE HERE

"""

import argparse
import os
import re
from operator import itemgetter

next_ids = {'gene':1, 'mRNA':1, 'exon':1, 'CDS':1, 'nucleotide_to_protein_match':1, 'match_part':1 }
MATCH_ONLY_TERM = 'nucleotide_to_protein_match'

def main():
    parser = argparse.ArgumentParser( description='AAT (nap/gap2) converter to GFF3 format')

    ## output file to be written
    parser.add_argument('-i', '--input_file', type=str, required=True, help='Path to an input file to parse' )
    parser.add_argument('-o', '--output_file', type=str, required=True, help='Path to an output file to be created' )
    parser.add_argument('-p', '--name_prefix', type=str, required=False, help='So that resulting GFF3 files from multiple runs can be merged, you can supply a prefix for the IDs generated here' )
    parser.add_argument('-d', '--perc_identity_cutoff', type=float, required=False, help='Filters on the percent identity of over the length of the alignment' )
    parser.add_argument('-s', '--perc_similarity_cutoff', type=float, required=False, help='Filters on the percent similarity of over the length of the alignment' )
    parser.add_argument('-m', '--max_intron_cutoff', type=int, required=False, help='Excludes alignment chains which propose an intron greater than this value' )
    parser.add_argument('-e', '--export_mode', type=str, required=False, default='model', help='Controls whether chains are modeled as genes or match regions. (match, match_and_parts, or model)' )
    
    args = parser.parse_args()
    algorithm = None
    total_chains = 0
    chains_exported = 0

    ofh = open(args.output_file, 'w')
    ofh.write("##gff-version 3\n")

    last_contig_id = None
    current_chain_number = 1
    gene_segments = []

    for line in open(args.input_file, 'r'):
        cols = line.split("\t")
        chain_num = int(cols[13]);

        # remove everything after the first whitespace
        cols[0] = cols[0].split()[0]
        
        segment = { 'contig_id':cols[0], 'contig_start':int(cols[6]), 'contig_end':int(cols[7]), \
                    'hit_id':cols[5], 'hit_start':int(cols[8]), 'hit_end':int(cols[9]), \
                    'pct_id':float(cols[10]), 'pct_sim':float(cols[11]), \
                    'strand':cols[17], 'product':cols[15], 'score':cols[18] }

        ## aat product fields are a bit of mess, so lets tease a few parts out:
        #   | organism=Neospora_caninum_Liverpool | product=Iron regulatory protein-like protein, related | location=FR823391:1231501-1237765(-) | length=986 | sequence_SO=chromosome | SO=protein_coding
        #   | organism=Toxoplasma_gondii_ME49 | product=aconitate hydratase ACN/IRP | location=TGME49_chrX:1400716-1407887(-) | length=1055 | sequence_SO=chromosome | SO=protein_coding
        m = re.search("product=(.+?) \|", segment['product'])
        if m:
            hit_product = m.group(1)
        else:
            ## now try this convention (but strip off everything after the GN=):
            #  DNA-directed RNA polymerase subunit beta OS=Plasmodium falciparum (isolate 3D7) GN=rpoB PE=3 SV=2
            m = re.search("(.+) OS=(.+?) GN=", segment['product'])
            if m:
                hit_product = "{0} [{1}]".format(m.group(1), m.group(2))
            else:
                hit_product = None
        
        if algorithm is None:
            algorithm = os.path.basename(cols[3])

        if last_contig_id is not None and last_contig_id != cols[0] or (last_contig_id == cols[0] and chain_num != current_chain_number):
            chain_pct_id = global_pct_id( gene_segments )

            # this is a new chain
            total_chains += 1

            exported = export_segments( args.export_mode, gene_segments, ofh, current_chain_number, algorithm, args.name_prefix, args.perc_identity_cutoff, \
                                        args.perc_similarity_cutoff, args.max_intron_cutoff )

            if exported is True:
                chains_exported += 1

            current_chain_number = chain_num
            gene_segments = []

        gene_segments.append( segment )

        last_contig_id = cols[0]
    
    ## make sure to do the last one
    total_chains += 1

    exported = export_segments( args.export_mode, gene_segments, ofh, current_chain_number, algorithm, args.name_prefix, args.perc_identity_cutoff, \
                                args.perc_similarity_cutoff, args.max_intron_cutoff )

    if exported is True:
        chains_exported += 1

    print("\nTotal alignment chains found: {0}".format(total_chains) )
    print("Total chains exported (after cutoffs applied): {0}\n".format(chains_exported) )
    

def get_next_id(type, prefix):
    if prefix == None:
        id = type + ".{0:06d}".format( next_ids[type] )
    else:
        id = prefix + "." + type + ".{0:06d}".format( next_ids[type] )
    
    next_ids[type] += 1

    return id


def global_pct_id( segments ):
    """
    Calculated like this:
    
    10bp @ 50% id = 5 matching residues, 10 total residues
    10bp @ 80% id = 8 matching residues, 10 total residues
                   13 matching residues, 20 total residues
                   ---------------------------------------
                   13 / 20 * 100 = 65%

    """
    match_length = 0
    identical_residues = 0
    
    for segment in segments:
        segment_length = abs(segment['contig_start'] - segment['contig_end']) + 1
        match_length += segment_length
        matched_residues = segment_length * (segment['pct_id'] / 100)
        identical_residues += matched_residues

    return (identical_residues / match_length) * 100

def global_pct_sim( segments ):
    """
    Calculated as in global_pct_id(), but with the percent similarity field
    """
    match_length = 0
    similar_residues = 0
    
    for segment in segments:
        segment_length = abs(segment['contig_start'] - segment['contig_end']) + 1
        match_length += segment_length
        matched_residues = segment_length * (segment['pct_sim'] / 100)
        similar_residues += matched_residues

    return (similar_residues / match_length) * 100


def export_segments( mode, segments, out, chn_num, source, prefix, perc_id_cutoff, perc_sim_cutoff, max_intron_cutoff ):
    contig_min = None
    contig_max = None
    contig_id  = None
    hit_id     = None
    hit_min    = None
    hit_max    = None
    segment_strand = '+'

    segment_last_max = None
    segment_last_min = None

    #print("DEBUG: processing {0} segments".format(len(segments)) )

    # these are always returned in the file in order, so there's no need to sort segments
    for segment in segments:
        if segment['strand'] == 'Minus':
            segment_strand = '-'

        #print("DEBUG: segment: contig_start:{0}, contig_end:{1}, strand:{2}".format(segment['contig_start'], segment['contig_end'], segment['strand']) )
        segment_min = min( segment['contig_start'], segment['contig_end'] )
        segment_max = max( segment['contig_start'], segment['contig_end'] )
        segment_hit_min = min( segment['hit_start'], segment['hit_end'] )
        segment_hit_max = max( segment['hit_start'], segment['hit_end'] )

        if segment_last_max is not None:
            if segment_strand == '+':
                intron_size = segment_min - segment_last_max - 1
            else:
                intron_size = segment_last_min - segment_max - 1
                
            #print("DEBUG: intron size is: {0}".format(intron_size))
            if max_intron_cutoff is not None and intron_size > max_intron_cutoff:
                return False
        
        if contig_min is None or segment_min < contig_min:
            contig_min = segment_min
            hit_min    = segment_hit_min
        
        if contig_max is None or segment_max > contig_max:
            contig_max = segment_max
            hit_max = segment_hit_max

        if contig_id is None:
            contig_id = segment['contig_id']

        if hit_id is None:
            hit_id = segment['hit_id']

        segment_last_max = segment_max
        segment_last_min = segment_min

    ## does this score above any user-defined cutoffs.
    if perc_id_cutoff is not None:
        pct_id = global_pct_id( segments )

        if pct_id < perc_id_cutoff:
            return False

    if perc_sim_cutoff is not None:
        pct_sim = global_pct_sim( segments )

        if pct_sim < perc_sim_cutoff:
            return False
    
    #print("Exported chain: ({0}) min:({1}) max({2})".format(chn_num, contig_min, contig_max))
    
    if mode == 'model':
        ## write the gene feature
        gene_id = get_next_id('gene', prefix)
        data_column = "ID={0};Target={1} {2} {3}".format(gene_id, hit_id, hit_min, hit_max)
        out.write( "{0}\t{1}\t{2}\t{3}\t{4}\t{5}\t{6}\t{7}\t{8}\n".format( \
                contig_id, source, 'gene', contig_min, contig_max, '.', segment_strand, '.', data_column
                ) )

        ## write the mRNA
        mRNA_id = get_next_id('mRNA', prefix)
        data_column = "ID={0};Parent={1};Target={2} {3} {4}".format(mRNA_id, gene_id, hit_id, hit_min, hit_max)
        out.write( "{0}\t{1}\t{2}\t{3}\t{4}\t{5}\t{6}\t{7}\t{8}\n".format( \
                contig_id, source, 'mRNA', contig_min, contig_max, '.', segment_strand, '.', data_column
                ) )

        ## write the exons and CD
        CDS_id = get_next_id('CDS', prefix)
        
        for segment in sorted(segments, key=itemgetter('contig_start')):
            exon_id = get_next_id('exon', prefix)
            exon_start = min( segment['contig_start'], segment['contig_end'] )
            exon_hit_start = min(segment['hit_start'], segment['hit_end'])
            exon_end   = max( segment['contig_start'], segment['contig_end'] )
            exon_hit_end = max( segment['hit_start'], segment['hit_end'] )

            data_column = "ID={0};Parent={1};Target={2} {3} {4}".format(exon_id, mRNA_id, hit_id, \
                    exon_hit_start, exon_hit_end)
            out.write( "{0}\t{1}\t{2}\t{3}\t{4}\t{5}\t{6}\t{7}\t{8}\n".format( \
                    contig_id, source, 'exon', exon_start, exon_end, \
                    '.', segment_strand, '.', data_column 
                    ) )

            data_column = "ID={0};Parent={1};Target={2} {3} {4}".format(CDS_id, mRNA_id, hit_id, \
                    exon_hit_start, exon_hit_end)
            out.write( "{0}\t{1}\t{2}\t{3}\t{4}\t{5}\t{6}\t{7}\t{8}\n".format( \
                    contig_id, source, 'CDS', exon_start, exon_end, \
                    '.', segment_strand, 0, data_column 
                    ) )

    elif mode == 'match_and_parts':
        ## write the match feature
        match_id = get_next_id('nucleotide_to_protein_match', prefix)
        data_column = "ID={0};Target={1} {2} {3}".format(match_id, hit_id, hit_min, hit_max)
        out.write( "{0}\t{1}\t{2}\t{3}\t{4}\t{5}\t{6}\t{7}\t{8}\n".format( \
                    contig_id, source, 'nucleotide_to_protein_match', contig_min, contig_max, '.', segment_strand, '.', data_column ) )

        ## now write the match parts
        for segment in sorted(segments, key=itemgetter('contig_start')):
            mp_id = get_next_id('match_part', prefix)
            mp_start = min( segment['contig_start'], segment['contig_end'] )
            mp_hit_start = min(segment['hit_start'], segment['hit_end'])
            mp_end = max( segment['contig_start'], segment['contig_end'] )
            mp_hit_end = max( segment['hit_start'], segment['hit_end'] )
            
            data_column = "ID={0};Parent={1};Target={2} {3} {4}".format(mp_id, match_id, hit_id, \
                    mp_hit_start, mp_hit_end)
            out.write( "{0}\t{1}\t{2}\t{3}\t{4}\t{5}\t{6}\t{7}\t{8}\n".format(contig_id, source, 'match_part', mp_start, mp_end, '.', \
                                                                              segment_strand, '.', data_column ) )
            
    elif mode == 'match':
        match_id = get_next_id(MATCH_ONLY_TERM, prefix)
        
        ## now write the match parts
        for segment in sorted(segments, key=itemgetter('contig_start')):
            mp_start = min( segment['contig_start'], segment['contig_end'] )
            mp_hit_start = min(segment['hit_start'], segment['hit_end'])
            mp_end = max( segment['contig_start'], segment['contig_end'] )
            mp_hit_end = max( segment['hit_start'], segment['hit_end'] )

            data_column = "ID={0};Target={1} {2} {3};Name={4}".format(match_id, segment['hit_id'], mp_hit_start, mp_hit_end, 'HIT_PRODUCT_HERE')
            out.write( "{0}\t{1}\t{2}\t{3}\t{4}\t{5}\t{6}\t{7}\t{8}\n".format(contig_id, source, MATCH_ONLY_TERM, mp_start, mp_end, '.', \
                                                                              segment_strand, '.', data_column ) )

            
    else:
        raise Exception( "ERROR: valid export modes are 'model', 'match', or 'match_and_parts'" )

    return True

if __name__ == '__main__':
    main()





















