Add full user options for AMPir

modules/ampir/main.nf

@@ -9,8 +9,9 @@ process AMPIR {
 
     input:
     tuple val(meta), path(faa)
-    val cut_off
     val model
+    val min_length
+    val min_probability
 
     output:
     tuple val(meta), path("*.faa"), emit: amps_faa
@@ -23,15 +24,17 @@ process AMPIR {
     script:
     def args = task.ext.args ?: ''
     def prefix = task.ext.prefix ?: "${meta.id}"
+    min_length = ("${min_length}" == "[]") ? "": " min_len = as.integer(${min_length})," // Fall back to AMPir default value if none specified
     """
     #!/usr/bin/env Rscript
     library(ampir)
 
-    protein_seqs <- read_faa('${faa}')
+    input_seqs <- read_faa('${faa}')
-    prediction <- predict_amps(protein_seqs, model = '${model}')
+    prediction <- predict_amps(input_seqs,${min_length} model = '${model}')
-    prediction <- protein_seqs[which(prediction\$prob_AMP >= as.integer(${cut_off})), ]
+    prediction <- prediction[which(prediction\$prob_AMP >= as.numeric(${min_probability})), ]
-    df_to_faa(protein_seqs, "${prefix}.faa")
+    output_seqs <- input_seqs[row.names(prediction), ]
-    write.table(prediction, file = "${prefix}.csv", row.names = FALSE, quote = FALSE, dec = '.')
+    write.table(prediction, file = "${prefix}.csv", row.names = FALSE, sep = ";", quote = FALSE, dec = '.')
+    df_to_faa(output_seqs, "${prefix}.faa")
 
     version_file_path <- "versions.yml"
     version_ampir <- paste(unlist(packageVersion("ampir")), collapse = ".")

modules/ampir/meta.yml

@@ -25,9 +25,13 @@ input:
       pattern: "*.{faa,fasta}"
   - model:
       type: value
-      description: Model for AMP prediction
+      description: Built-in model for AMP prediction
       pattern: "{precursor,mature}"
-  - cut_off:
+  - min_length:
+      type: value
+      description: Minimum protein length for which predictions will be generated
+      pattern: "[0-9]+"
+  - min_probability:
       type: value
       description: Cut-off for AMP prediction
       pattern: "[0-9][0-9]"

tests/modules/ampir/main.nf

@@ -10,9 +10,11 @@ workflow test_ampir {
               file(params.test_data['candidatus_portiera_aleyrodidarum']['genome']['proteome_fasta'], checkIfExists: true),
     ]
 
-    cut_off = "80"
-
     model = "precursor"
 
-    AMPIR ( fasta, cut_off, model )
+    min_length = []
+
+    min_probability = "0.7"
+
+    AMPIR ( fasta, model, min_length, min_probability )
 }

tests/modules/ampir/test.yml

@@ -4,8 +4,8 @@
     - ampir
   files:
     - path: output/ampir/test.csv
-      md5sum: 063fd8866f6a669457d7a49404fb449f
+      md5sum: a3b3152373a8add3613ace8c71073e68
     - path: output/ampir/test.faa
-      md5sum: e605d38752fd90261c924d51f7007189
+      md5sum: 0435609144022c55ac196db053f0df89
     - path: output/ampir/versions.yml
       md5sum: 4a11d25b8a904a7ffb34ae88f6826888