initialization

config.json

@@ -0,0 +1,125 @@
+{
+    "elements": {
+        "1": 0,
+        "2": 0,
+        "3": 3,
+        "4": 0,
+        "5": 0,
+        "6": 0,
+        "7": 0,
+        "8": 1,
+        "9": 0,
+        "10": 0,
+        "11": 0,
+        "12": 0,
+        "13": 0,
+        "14": 2,
+        "15": 0,
+        "16": 0,
+        "17": 0,
+        "18": 0,
+        "19": 0,
+        "20": 0,
+        "21": 0,
+        "22": 0,
+        "23": 0,
+        "24": 0,
+        "25": 0,
+        "26": 0,
+        "27": 0,
+        "28": 0,
+        "29": 0,
+        "30": 0,
+        "31": 0,
+        "32": 0,
+        "33": 0,
+        "34": 0,
+        "35": 0,
+        "36": 0,
+        "37": 0,
+        "38": 0,
+        "39": 0,
+        "40": 0,
+        "41": 0,
+        "42": 0,
+        "43": 0,
+        "44": 0,
+        "45": 0,
+        "46": 0,
+        "47": 0,
+        "48": 0,
+        "49": 0,
+        "50": 0,
+        "51": 0,
+        "52": 0,
+        "53": 0,
+        "54": 0,
+        "55": 0,
+        "56": 0,
+        "57": 0,
+        "58": 0,
+        "59": 0,
+        "60": 0,
+        "61": 0,
+        "62": 0,
+        "63": 0,
+        "64": 0,
+        "65": 0,
+        "66": 0,
+        "67": 0,
+        "68": 0,
+        "69": 0,
+        "70": 0,
+        "71": 0,
+        "72": 0,
+        "73": 0,
+        "74": 0,
+        "75": 0,
+        "76": 0,
+        "77": 0,
+        "78": 0,
+        "79": 0,
+        "80": 0,
+        "81": 0,
+        "82": 0,
+        "83": 0,
+        "84": 0,
+        "85": 0,
+        "86": 0,
+        "87": 0,
+        "88": 0,
+        "89": 0,
+        "90": 0,
+        "91": 0,
+        "92": 0,
+        "93": 0,
+        "94": 0,
+        "95": 0,
+        "96": 0,
+        "97": 0,
+        "98": 0,
+        "99": 0,
+        "100": 0,
+        "101": 0,
+        "102": 0,
+        "103": 0,
+        "104": 0,
+        "105": 0,
+        "106": 0,
+        "107": 0,
+        "108": 0,
+        "109": 0,
+        "110": 0,
+        "111": 0,
+        "112": 0,
+        "113": 0,
+        "114": 0,
+        "115": 0,
+        "116": 0,
+        "117": 0,
+        "118": 0
+    },
+    "minimumScore": 1,
+    "reverseSorting": false,
+    "fullPrint" : true
+}

main.py

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+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(item):
+    return config['elements'][str(item[0])] + config['elements'][str(item[1])], item
+
+def arrange(item):
+    return (max(item), min(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 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
+    posi = [(x, select - x) for x in range(1, select)]
+    posi = list(map(arrange, posi))
+    posi = list(set(posi))
+    posi = list(filter(lambda item : score(item)[0] >= config['minimumScore'], posi))
+    posi.sort(key=lambda item : score(item), reverse=not config['reverseSorting'])
+
+    string1 = '[Best Elements for Element {}, {}]'.format(select, mdv.element(select).name)
+    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')))
+))