python程序实现输入化学式求分子量

从键盘输入一个纯净物的化学式，输出其分子量，结果保留3位小数。输入占1行；输出占1行。

def sum(element_counts, elements_dict):
    total_weight = 0
    for element, count in element_counts.items():
        total_weight += elements_dict[element] * count
    return total_weight

def get_molecular_weight(formula):
    # 定义element_counts作为字典来存储元素及其数量
    element_counts = {}
    # 定义一个栈用于存储开括号的位置
    stack = []

    # 定义元素符号和对应的原子量
    elements_dict = {
        'H': 1.007,
        'He': 4.002,
        'Li': 6.938,
        'Be': 9.012,
        'B': 10.806,
        'C': 12.0096,
        'N': 14.006,
        'O': 15.999,
        'F': 18.998,
        'Ne': 20.1797,
        'Na': 22.989,
        'Mg': 24.305,
        'Al': 26.981,
        'Si': 28.084,
        'P': 30.973,
        'S': 32.059,
        'Cl': 35.45,
        'K': 39.0983,
        'Ca': 40.078,
        'Sc': 45.0,
        'Ti': 47.9,
        'V': 50.9,
        'Cr': 51.9961,
        'Mn': 54.938,
        'Fe': 55.845,
        'Co': 58.9,
        'Ni': 58.7,
        'Cu': 63.6,
        'Zn': 65,
    }

    i = 0
    while i < len(formula):
        if formula[i].isupper():
            element = formula[i]
            i += 1
            while i < len(formula) and formula[i].islower():
                element += formula[i]
                i += 1
            count = ''
            while i < len(formula) and (formula[i].isdigit() or formula[i] == '/'):
                count += formula[i]
                i += 1
            if count == '':
                count = '1'
            element_counts[element] = int(count)
        elif formula[i] == '(':
            stack.append(i)
            i += 1
        elif formula[i] == ')':
            start = stack.pop()
            end = i
            num = ''
            i += 1
            while i < len(formula) and (formula[i].isdigit() or formula[i] == '/'):
                num += formula[i]
                i += 1
            if num == '':
                num = '1'
            sub_formula = formula[start + 1:end]
            sub_weight = get_molecular_weight(sub_formula)
            for j in range(start + 1, end):
                if formula[j].isupper():
                    element_counts[formula[j]] *= int(num)
            for element, count in sub_weight.items():
                element_counts[element] = element_counts.get(element, 0) + count
        else:
            i += 1

    return element_counts

# 获取输入的化学式
m = input()
# 去除空格
list0 = ''.join(m.split())
# 定义元素的原子量字典
elements_dict = {
    'H': 1.007,
    'He': 4.002,
    'Li': 6.938,
    'Be': 9.012,
    'B': 10.806,
    'C': 12.0096,
    'N': 14.006,
    'O': 15.999,
    'F': 18.998,
    'Ne': 20.1797,
    'Na': 22.989,
    'Mg': 24.305,
    'Al': 26.981,
    'Si': 28.084,
    'P': 30.973,
    'S': 32.059,
    'Cl': 35.45,
    'K': 39.0983,
    'Ca': 40.078,
    'Sc': 45.0,
    'Ti': 47.9,
    'V': 50.9,
    'Cr': 51.9961,
    'Mn': 54.938,
    'Fe': 55.845,
    'Co': 58.9,
    'Ni': 58.7,
    'Cu': 63.6,
    'Zn': 65,
}
# 调用get_molecular_weight函数计算分子量
molecular_weight = sum(get_molecular_weight(list0), elements_dict)
print('%.3f' % molecular_weight)

 测试运行结果：

注意，某些复杂化学式如络合物等的分子式无法计算。