FEAT: add csv2fasta (#1)

* FEAT: add csv2fasta

* Update PR number

CHANGELOG

@@ -1 +1,5 @@
 # craftbox x.x.x
+
+## NEW FEATURES
+
+* `csv2fasta`: Convert two columns from a CSV file to FASTA entries (PR #1).

src/csv2fasta/config.vsh.yaml

@@ -0,0 +1,102 @@
+name: csv2fasta
+description: |
+  Convert two columns from a CSV file to FASTA entries. The CSV file can
+  contain an optional header and each row (other than the header) becomes
+  a single FASTA record. One of the two columns will be used as the names
+  for the FASTA entries, while the other become the sequences. The sequences
+  column must only contain characters that are valid IUPAC notation for 
+  nucleotides or a group thereof (wildcard characters).
+argument_groups:
+  - name: Inputs
+    arguments:
+    - name: --input
+      type: file
+      direction: input
+      example: barcodes.csv
+      description: CSV file to be processed.
+      required: true
+    - name: --header
+      type: boolean_true
+      description: |
+        Parse the first line of the CSV file as a header.
+  - name: "CSV dialect options"
+    description: |
+      Options that can be used to override the automatically detected
+      dialect of the CSV file.
+    arguments:
+      - name: --delimiter
+        type: string
+        description: |
+          Overwrite the column delimiter character.
+      - name: --quote_character
+        type: string
+        description: |
+          Overwrite the character used to denote the start and end of a quoted item.
+  - name: "CSV column arguments"
+    description: |
+      Parameters for the selection of columns from the CSV file.
+      Only required when your CSV file contains more than 2 columns,
+      otherwise the first column will be used for the FASTA header
+      and the second for the FASTA nucleotide sequences. This default
+      can still be overwritten by using the options below.
+    arguments:
+      - name: --sequence_column
+        type: string
+        description: |
+          Name of the column containing the sequences. Implies 'header'.
+          Cannot be used together with 'sequence_column_index'.
+        required: false
+      - name: "--name_column"
+        type: string
+        description: |
+          Name of the column describing the FASTA headers. Implies 'header'.
+          Cannot be used together with 'name_column_index'.
+        required: false
+      - name: "--sequence_column_index"
+        type: integer
+        min: 0
+        description: | 
+          Index of the column to use as the FASTA sequences, counter from the left and
+          starting from 0. Cannot be used in combination with the 'sequence_column' argument.
+        required: false
+      - name: "--name_column_index"
+        type: integer
+        min: 0
+        description: | 
+          Index of the column to use as the FASTA headers, counter from the left and
+          starting from 0. Cannot be used in combination with 'name_column'.
+        required: false 
+  - name: Outputs
+    arguments:
+      - name: "--output"
+        type: file
+        example: barcodes.fasta
+        direction: output
+        description: Output fasta file.
+
+resources:
+  - type: python_script
+    path: script.py
+test_resources:
+  - type: python_script
+    path: test_csv2fasta.py
+
+engines:
+  - type: docker
+    image: python:slim
+    setup:
+      - type: apt
+        packages:
+          - procps
+      - type: python
+        packages: 
+          - dnaio
+    test_setup:
+      - type: python
+        packages:
+          - pytest
+          - viashpy
+
+runners:
+  - type: executable
+  - type: nextflow

src/csv2fasta/script.py

@@ -0,0 +1,102 @@
+from pathlib import Path
+import dnaio
+import csv
+
+## VIASH START
+par = {
+
+}
+## VIASH END
+
+iupac = frozenset("ABCDGHKMNRSTUVWXY")
+
+def resolve_header_name_to_index(header_entries, column_name):
+    try:
+        return header_entries.index(column_name)
+    except ValueError as e:
+        raise ValueError(f"Column name '{column_name}' could not "
+                         "be found in the header of the CSV file.") from e
+
+
+def csv_records(csv_file, delimiter, quote_character, 
+                header, sequence_column, name_column,
+                sequence_column_index, name_column_index):
+    with open(csv_file, newline='') as csvfile:
+        # Deduce CSV dialect based on first 5 lines.
+        hint = "\n".join([csvfile.readline() for _ in range(5)])
+        csvfile.seek(0)
+        dialect = csv.Sniffer().sniff(hint)
+        reader_args = {"dialect": dialect}
+        delimiter_arg = {"delimiter": delimiter} if delimiter else {}
+        quotechar_arg = {"quotechar": quote_character} if delimiter else {}
+        all_args = reader_args | delimiter_arg | quotechar_arg
+        csv_reader = csv.reader(csvfile, **all_args)
+        for linenum, line in enumerate(csv_reader):
+            if not linenum: # First row
+                num_columns = len(line)
+                if header:
+                    if sequence_column:
+                        sequence_column_index = resolve_header_name_to_index(line, sequence_column)
+                    if name_column:
+                        name_column_index = resolve_header_name_to_index(line, name_column)
+                    continue
+            if not (linenum - header): # First 'data' line
+                if (not sequence_column_index and not name_column_index and len(line) == 2):
+                    name_column_index, sequence_column_index = 0, 1
+                if sequence_column_index == name_column_index:
+                    raise ValueError("The same columns were selected for both the FASTQ sequences and "
+                                     "headers.")
+                if sequence_column_index is None:
+                    raise ValueError("Either 'sequence_column_index' or 'sequence_column' needs "
+                                     "to be specified.")
+                if name_column_index is None:
+                    raise ValueError("Either 'name_column' or 'name_column_index' needs to "
+                                     "be specified.")
+                if name_column_index >= num_columns:
+                    raise ValueError(f"Requested to use column number {name_column_index} "
+                                     f"(0 based) for the FASTA headers, but only {num_columns} "
+                                     "were found on the first line.")
+                if sequence_column_index >= num_columns:
+                    raise ValueError(f"Requested to use column number {sequence_column_index} "
+                                     f"(0 based) for the FASTA sequences, but only {num_columns} "
+                                     "were found on the first line.") 
+            if len(line) != num_columns:
+                raise ValueError(f"Number of columns ({len(line)}) found on line {linenum+1} "
+                                 "is different compared to number of columns found "
+                                 f"previously ({num_columns}).")
+            sequence_name, sequence = line[name_column_index], line[sequence_column_index]
+            invalid_characters = set(sequence.upper()) - iupac 
+            if set(sequence.upper()) - iupac:
+                raise ValueError(f"The sequence ('{sequence}') found on line {linenum+1} "
+                                 f"contains characters ({','.join(invalid_characters)}) "
+                                 "which are not valid IUPAC identifiers for nucleotides.")
+            yield sequence_name, sequence
+
+
+def main(par):
+    par['input'], par['output'] = Path(par['input']), Path(par['output'])
+    sequence_column, name_column = par['sequence_column'], par['name_column'] 
+    sequence_column_index, name_column_index = par['sequence_column_index'], par['name_column_index']
+    if (sequence_column or name_column) and not par['header']:
+        par["header"] = True
+    if sequence_column_index and sequence_column:
+        raise ValueError("Cannot specify both 'sequence_column_index' and 'sequence_column'")
+    if name_column and name_column_index:
+        raise ValueError("Cannot specify both 'name_column_index' and 'name_column'")
+    if (sequence_column_index or name_column_index) and \
+        (sequence_column_index == name_column_index):
+        raise ValueError("The value specified for 'sequence_column_index' cannot be the same as "
+                         "the value for 'name_column_index'.")
+    with dnaio.open(par['output'], mode='w', fileformat="fasta") as writer:
+        for header, sequence in csv_records(par['input'],
+                                            par['delimiter'],
+                                            par['quote_character'],
+                                            par['header'],
+                                            sequence_column,
+                                            name_column,
+                                            sequence_column_index,
+                                            name_column_index):
+            writer.write(dnaio.SequenceRecord(header, sequence))
+
+if __name__ == "__main__":
+    main(par)