Question

def compound_properties(csv_name, compound_formula):
compDict = molform(compound_formula)

compK = compDict.keys()
sList = []
ele = ''
with open("atoms.csv", "r") as atomsF:
elemData = list([row for row in csv.reader(atomsF)])
for i in compK:
  ele = str(i)
  for j in elemData: 
    sList = j
    if ele in sList:
      print('hi')

如何检查此元素是否在我使用for循环生成的列表中？我拥有的If语句不会像预期的那样打印“ hi”。我该如何解决？？

此函数带有两个参数：csv文件名和化合物的公式。

它应该调用molform（）函数来获取分子的组成并从csv文件获取所需的属性。 csv文件将包含所有属性。

返回三个属性的元组是必需的： 1.沸点最低的原子名称。例如，如果是氧气，则返回“氧气”，而不是“ O”

Answer 1

首先，您可以通过删除不必要的声明来大大缩短代码。

编辑：我猜您要打开csv_name，而不是"atoms.csv"？

删除所有过时的内容后，它看起来像这样（请查看here以获取有关csv.reader的更多信息）：

def compound_properties(csv_name, compound_formula):
    compDict = molform(compound_formula)

    with open(csv_name, "r") as atomsF:
        elemData = csv.reader(atomsF) # csv.reader already returns a list of rows

    for i in compDict:  # for loop automaticaly iterates over dict keys
        for j in elemData:
            if str(i) in j:  # no need to assign i or j to additional variables
                print('hi')

没有任何实际的示例数据，我现在不能再多说这件事了，因为问题不在此for循环之内。使用测试数据，它可以完美运行：

elem_data = [['this', 'is', 'the', 'first', 'row'], ['this', 'is', 'the', 'bar', 'row'], ['this', 'is', 'all', 'a', 'big', 'foo']]

compDict = {'foo': 1, 'bar': 2, 'baz': 3}

for i in compDict:
    for j in elemData:
        if str(i) in j:
            print('{} was found in line {}'.format(i, elemData.index(j) + 1))

输出：

foo was found in line 3
bar was found in line 2

与化学式功能设计混淆：如果应为

1 个答案: