started working on similarity matrix writer.

solventmapcreator/io/similaritymatrixwriter.py

+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+"""
+Script for writing out the similarity matrix information to a csv file.
+
+@author: mark
+"""
+
+import logging
+import numpy as np
+import csv
+
+logging.basicConfig()
+LOGGER = logging.getLogger(__name__)
+LOGGER.setLevel(logging.WARN)
+
+
+def write_similarity_matrix_file(filename, input_data):
+    """This writes out the similarity matrix information to file.
+    """
+    with open(filename, 'w') as outfile:
+        csv_writer = csv.writer(outfile, delimiter='\t',
+                                quoting=csv.QUOTE_NONE)
+        csv_writer.writerow(["", *input_data["labels"]])
+        similarity_matrix = input_data["value_matrix"]
+        for i in range(input_data["labels"]):
+            data_line = create_file_line(input_data["labels"][i], similarity_matrix[i])
+            csv_writer.writerow(data_line)
+    return 0
+
+def create_file_line(solvent_name, similarity_matrix_row):
+    """This creates the row, ready to write to file. This formats the similarity
+    matrix values ofr writing.
+    """
+    similarity_matrix_row_values = ["{:.7f}".format(x) for x in similarity_matrix_row]
+    return [solvent_name, * similarity_matrix_row_values]