identical.ml 3.39 KB
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open Core
open Bistro.Std
open Bistro.EDSL
open Bistro_bioinfo.Std
open File_formats


let assign k v =
  seq ~sep:"=" [ string k ; v ]



let conf_file_bppml ~tree ~faa ~out ~config =
  seq ~sep:"\n" (
    [ 
      assign "OUT" (out) ;
      assign "input.sequence.file" (dep faa) ;
      assign "alphabet" (string "Protein") ;

      assign "input.tree.file"  (dep tree) ;
      assign "init.tree" (string "user") ;
      assign "input.tree.format" (string "Nhx") ;
      
      assign "optimization.topology" (string "false") ;

      assign "output.tree.file" (string "$(OUT)/tree.nhx") ;
      assign "output.tree.format" (string "Nhx") ;


      assign "output.infos" (string "$(OUT)/infos.tsv") ;
      assign "output.estimates" (string "$(OUT)/estimates.tsv") ;
    ]
    @ config
  )

let bppml ?(descr="") ~faa ~tree ~config : _ workflow =
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  let env = docker_image ~account:"carinerey" ~name:"bppsuite" ~tag:"07052018" () in
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  let config_f = dest // "config_bppml.bpp" in
  let out = ident dest in
  workflow ~descr:("bppsuite.bppml" ^ descr) [
    docker env (
      and_list [
        mkdir_p dest;
        cmd "cat" ~stdout:config_f [(file_dump (conf_file_bppml ~tree ~faa ~out ~config ))];
        cmd "bppml" [
         assign "param"  config_f;
         ]
      ]
    )
  ]
  

let conf_file_bppancestor ~tree ~faa ~out ~config =
  seq ~sep:"\n" (
    [ 
      assign "OUT" (out) ;
      assign "input.sequence.file" (dep faa) ;
      assign "alphabet" (string "Protein") ;

      assign "input.tree.file"  (dep tree) ;
      assign "init.tree" (string "user") ;
      assign "input.tree.format" (string "Nhx") ;
      
      assign "optimization.topology" (string "false") ;

      assign "output.sequence.file" (string "$(OUT)/output_anc.fa") ;
      assign "asr.add_extant" (string "true") ;
      assign "asr.probabilities" (string "true") ;


      assign "output.sites.file" (string "$(OUT)/sites.tsv") ;
      assign "output.nodes.file" (string "$(OUT)/nodes.tsv") ;
    ]
    @ config
  )


let bppancestor ?(descr="") ~faa ~tree ~config : _ workflow =
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  let env = docker_image ~account:"carinerey" ~name:"bppsuite" ~tag:"07052018" () in
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  let config_f = dest // "config_bppancestor.bpp" in
  let out = ident dest in
  workflow ~descr:("bppsuite.bppancestor" ^ descr) [
    docker env (
      and_list [
        mkdir_p dest;
        cmd "cat" ~stdout:config_f [(file_dump (conf_file_bppancestor ~tree ~faa ~out ~config))];
        cmd "bppancestor" [
         assign "param"  config_f;
         ]
      ]
    )
  ]


let identical ~(tree_id:_ workflow) ~(tree_sc:_ workflow) ~(faa:aminoacid_fasta workflow) ~prot_model : [`identical] directory workflow =
  let config = [assign "model" (string prot_model)] in
  let out1 = dest // "out1.tsv" in
  let out2 = dest // "out2.tsv" in
  let run_bppml = bppml ~descr:"" ~tree:tree_id ~config ~faa in
  let run_bppancestor = bppancestor ~descr:"" ~tree:tree_id ~faa ~config in
  let proba = run_bppancestor / selector ["sites.tsv"] in
  let env = docker_image ~account:"carinerey" ~name:"pcoc" ~tag:"07022018" () in
  workflow ~descr:("identical."^prot_model) [
    mkdir dest ;
    cmd "python" ~env [
        file_dump (string Scripts.calc_identical) ;
        opt "-t" dep tree_sc;
        opt "-a" dep faa;
        opt "-p" dep proba;
        opt "-o"  ident out1 ;
        opt "-o2"  ident out2 ;
    ]
  ]

let results run_identical : text_file workflow =
  run_identical / selector ["out1.tsv"]