documentation, default configuration changes

fusion.py

@@ -0,0 +1,55 @@
+import os, sys, json, re, mendeleev as mdv
+
+path = os.path.join(sys.path[0], 'config.json')
+config = json.load(open(path, 'r'))
+
+def score(element):
+    return config['elements'][str(element)]
+
+def scoreSum(item):
+    return (score(item[0]) + score(item[1])), item
+
+def formatting(e1, e2):
+    e1, e2 = mdv.element(e1), mdv.element(e2)
+    return '\t[{} {}] + [{} {}]'.format(e1.symbol if not config['fullPrint'] else e1.name,
+                                        e1.atomic_number,
+                                        e2.symbol if not config['fullPrint'] else e2.name,
+                                        e2.atomic_number)
+
+def hasNegatives(item):
+    return score(item[0]) < 0 or score(item[1]) < 0
+
+def getElement(element):
+    if re.match(r'\d+', element):
+        return mdv.element(int(element))
+    elif re.match(r'\w{1,2}', element):
+        try:
+            return mdv.element(element.strip().title())
+        except:
+            raise ValueError('Unknown Element \'{}\''.format(element))
+    else:
+        raise ValueError('Unknown Element Format \'{}\''.format(element))
+
+def bestSelection(select):
+    select = select.atomic_number
+    # Create a set, rearrange by (larger, smaller), then remove duplicates
+    posi = [(x, select - x) for x in range(1, select)]
+    posi = list(map(lambda item : (max(item), min(item)), posi))
+    posi = list(dict.fromkeys(posi))
+    # Filter out element tuples that don't have both with scores
+    if config['noNegatives']:
+        posi = list(filter(lambda item : hasNegatives(item), posi))
+    # Filter out elements that do not meet the minimum/maximum set
+    posi = list(filter(lambda item : scoreSum(item)[0] >= config['minimumScore'], posi))
+    # Sort the elements by the sum of their scores
+    posi.sort(key=lambda item : scoreSum(item), reverse=not config['reverseSorting'])
+
+    string1 = '[Best Elements for Element {}, {}]'.format(select, mdv.element(select).name if config['fullPrint'] else mdv.element(select.symbol))
+    string2 = '\n'.join([formatting(element1, element2) for element1, element2 in posi])
+    return string1, string2 or '\t{No elements matched the configuration specified}'
+
+selection = input("Choose elements, delimited by whitespace and/or punctuation...\n")
+selection = [getElement(e) for e in selection.split()]
+print('\n\n'.join(
+    sorted(['{}\n{}'.format(*bestSelection(E)) for E in selection], key=lambda string : len(string.split('\n')))
+))