fixed a bug with DAMA, domain hits needed to be sorted by sequence-id

scripts/dama_arch.py

@@ -3,9 +3,7 @@ Author: Riccardo Vicedomini
 """
 
 import sys, os, argparse, gzip
-import subprocess
-import glob
-import time
+import subprocess, glob, time, operator
 
 from mclade_utils import *
 
@@ -35,10 +33,8 @@ def main():
 
     start_time = time.time()
 
-    print(f'[{script_name}] formatting DAMA input file')
+    print(f'[{script_name}] loading best hits')
     domainsHitDict = {}
-    domains_hit_file = f'{temp_dir}/domainsHitFile.best.res'
-    with open(domains_hit_file,'w') as dhf:
     for bdfile in glob.glob(f'{args.filterResDir}/*.best.res'):
         domid = os.path.basename(bdfile).split('.')[0]
         with open(bdfile,'r') as bdf:
@@ -47,7 +43,14 @@ def main():
                 mid,mbeg,mend,mlen,sid,sbeg,send,slen,evalue,score,acc,mtaxid = cols
                 hit_key = (sid,sbeg,send,domid)
                 domainsHitDict[hit_key]=cols
-                    dhf.write(f'{evalue}\t{sbeg}\t{send}\t{sid}\t{domid}\t{acc}\t{mid}\t{mbeg}\t{mend}\t{domid}\n')
+
+    print(f'[{script_name}] loading best hits')
+    sortedDomHitKeys = sorted(domainsHitDict.keys(),key=operator.itemgetter(0,1))
+    domains_hit_file = f'{temp_dir}/domainsHitFile.best.res'
+    with open(domains_hit_file,'w') as dhf:
+        for hit_key in sortedDomHitKeys:
+            mid,mbeg,mend,mlen,sid,sbeg,send,slen,evalue,score,acc,mtaxid = domainsHitDict[hit_key]
+            dhf.write(f'{evalue}\t{sbeg}\t{send}\t{sid}\t{hit_key[3]}\t{mbeg}\t{mend}\t{score}\t{mid}\n')
     
     print(f'[{script_name}] running DAMA')
     dama_temp_out = f'{temp_dir}/dama.arch.txt'
@@ -57,16 +60,18 @@ def main():
                   '-overlappingDomainFile', args.overlappingDomainFile,
                   '-evalueCutOff', args.evalueCutOff,
                   '-evalueCutOffConf', args.evalueCutOffConf,
-                  '-overlappingAA', args.overlappingAA,
-                  '-overlappingMaxDomain', args.overlappingMaxDomain,
+                  '-overlappingAA', str(args.overlappingAA),
+                  '-overlappingMaxDomain', str(args.overlappingMaxDomain),
                   '-domainsHitFile', domains_hit_file,
                   '-outputFile', dama_temp_out ]
     dama_cmd = ' '.join(dama_args)
+    eprint(f'running DAMA: {dama_cmd}')
     dama_process = subprocess.call(dama_args)
     if dama_process != 0: # if dama failed
         eprint(f'[{script_name}] error running: {hmmsearch_cmd}')
         return 1
 
+    print(f'[{script_name}] loading taxonomy information')
     taxid2name = {}
     with gzip.open(args.taxid2nameFile,'rt') as taxFile:
         for line in taxFile: