施工中
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def solve_equation(eq):
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"""
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配平化学方程式，返回配平后的化学方程式
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:param eq: 化学方程式，
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格式为
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{
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'left': [ {
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'atoms': [ {'元素名称': 元素个数}, {'元素名称': 元素个数}, ... ],
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'coefficient': 系数,
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'pretty_name': 化学式的字符串表示
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}, ... ],
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'right': [ ... ]
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}
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:return: 配平后的化学方程式，与输入格式相同
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若无法配平，则返回 None
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"""
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# 使用加减消元法解方程组
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# 依据：反应前后，每个元素的个数相等
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# 用二维数组表示方程组的系数，用一维数组表示方程组的常数项
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class Fraction:
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"""
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代表分数的类，包含分子和分母
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提供加减乘除运算
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"""
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def __init__(self, top, bottom):
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self.num = top
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self.den = bottom
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def __str__(self):
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return str(self.num) + "/" + str(self.den)
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def __add__(self, otherfraction):
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newnum = self.num * otherfraction.den + self.den * otherfraction.num
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newden = self.den * otherfraction.den
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return Fraction(newnum, newden)
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def __sub__(self, otherfraction):
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newnum = self.num * otherfraction.den - self.den * otherfraction.num
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newden = self.den * otherfraction.den
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return Fraction(newnum, newden)
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def __mul__(self, otherfraction):
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newnum = self.num * otherfraction.num
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newden = self.den * otherfraction.den
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return Fraction(newnum, newden)
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def __truediv__(self, otherfraction):
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newnum = self.num * otherfraction.den
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newden = self.den * otherfraction.num
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return Fraction(newnum, newden)
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def __eq__(self, otherfraction):
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firstnum = self.num * otherfraction.den
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secondnum = otherfraction.num * self.den
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return firstnum == secondnum
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def __gt__(self, otherfraction):
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firstnum = self.num * otherfraction.den
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secondnum = otherfraction.num * self.den
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return firstnum > secondnum
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def __lt__(self, otherfraction):
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firstnum = self.num * otherfraction.den
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secondnum = otherfraction.num * self.den
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return firstnum < secondnum
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def __ge__(self, otherfraction):
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firstnum = self.num * otherfraction.den
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secondnum = otherfraction.num * self.den
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return firstnum >= secondnum
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def __le__(self, otherfraction):
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firstnum = self.num * otherfraction.den
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secondnum = otherfraction.num * self.den
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return firstnum <= secondnum
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def __ne__(self, otherfraction):
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firstnum = self.num * otherfraction.den
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secondnum = otherfraction.num * self.den
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return firstnum != secondnum
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def get_num(self):
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return self.num
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def get_den(self):
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return self.den
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def __radd__(self, otherfraction):
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return self
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# 约分函数：将分数约分为最简分数
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def reduce_fraction(fraction):
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"""
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将分数约分为最简分数
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:param fraction: 分数，Fraction 类型
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:return: 约分后的分数，Fraction 类型
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"""
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# 求最大公约数
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def gcd(a, b):
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if b == 0:
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return a
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else:
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return gcd(b, a % b)
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g = gcd(fraction.get_num(), fraction.get_den())
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return Fraction(fraction.get_num() // g, fraction.get_den() // g)
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# 通分函数：将多个分数通分
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def common_denominator(fractions):
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"""
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将多个分数通分
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:param fractions: 分数列表，Fraction 类型
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:return: 通分后的分数列表，Fraction 类型
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"""
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# 求最大公约数
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def gcd(a, b):
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if b == 0:
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return a
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else:
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return gcd(b, a % b)
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# 求最小公倍数
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def lcm(a, b):
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return a * b // gcd(a, b)
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# 通分
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denominator = 1
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for fraction in fractions:
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denominator = lcm(denominator, fraction.get_den())
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for i in range(len(fractions)):
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fractions[i] = Fraction(fractions[i].get_num() * denominator // fractions[i].get_den(), denominator)
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return fractions
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# 这是一个示例 Python 脚本。
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# 按 ⌃R 执行或将其替换为您的代码。
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# 按 双击 ⇧ 在所有地方搜索类、文件、工具窗口、操作和设置。
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import parser
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from validity_check import IllegalAtomException
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# 按间距中的绿色按钮以运行脚本。
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if __name__ == '__main__':
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eq = input('请输入化学方程式：')
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try:
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print(parser.parse_equation(eq))
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except IllegalAtomException as e:
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print(e.args[0])
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# 访问 https://www.jetbrains.com/help/pycharm/ 获取 PyCharm 帮助
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import re
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from validity_check import check_atom
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def parse_atom(atom):
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"""
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将化学式中的原子转化为字典
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:param atom: 原子的字符串表示
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:return: 原子的字典表示，{'元素名称': 元素个数}
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"""
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if len(atom) == 1:
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check_atom(atom)
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return {atom: 1}
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elif len(atom) == 2:
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if atom[1].isdigit():
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check_atom(atom[0])
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return {atom[0]: int(atom[1])}
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else:
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check_atom(atom)
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return {atom: 1}
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else:
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check_atom(atom[:-1])
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return {atom[:-1]: int(atom[-1])}
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def combine_same_atom(parsed_molecule):
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"""
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合并同类原子，类型不变，数量相加
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:param parsed_molecule: 化学式的字典表示
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:return: 合并完成后化学式的字典表示
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"""
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atoms = parsed_molecule['atoms']
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new_atoms = []
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for atom in atoms:
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for new_atom in new_atoms:
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if list(atom.keys())[0] == list(new_atom.keys())[0]:
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new_atom[list(atom.keys())[0]] += atom[list(atom.keys())[0]]
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break
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else:
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new_atoms.append(atom)
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return {
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'atoms': new_atoms,
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'coefficient': parsed_molecule['coefficient'],
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'pretty_name': parsed_molecule['pretty_name']
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}
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def parse_atomic_clusters(atomic_clusters):
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"""
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将原子团转化为字典
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:param atomic_clusters: 经过parse_molecule处理后的原子团
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如(ClO)2->['(', 'Cl', 'O', ')2']
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:return: 原子团的字典表示
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"""
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# 去除首括号
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atomic_clusters = atomic_clusters[1:]
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# 去除尾括号，解析尾括号后的数值作为原子团系数
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if atomic_clusters[-1][-1].isdigit():
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coefficient = int(atomic_clusters[-1][-1])
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atomic_clusters = atomic_clusters[:-1]
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elif atomic_clusters[-1] == ')':
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coefficient = 1
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else:
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raise ValueError('无效的原子团系数')
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# 解析原子团
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atoms = []
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for atom in atomic_clusters:
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atoms.append(parse_atom(atom))
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return {
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'atoms': atoms,
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'coefficient': coefficient,
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'pretty_name': ''.join(atomic_clusters)
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}
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def parse_molecule(molecule):
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"""
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将化学式转化为字典，以大小写区分不同元素（元素的第一个字母大写）
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注意一个化学式中可能包含多个元素
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应当得到一个字典：
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{
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'atoms': [ {'元素名称': 元素个数}, {'元素名称': 元素个数}, ... ],
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'coefficient': 系数,
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'pretty_name': 化学式的字符串表示
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}
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:param molecule: 化学式
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:return: 化学式的字典表示
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"""
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pretty_name = ''
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if molecule[0].isdigit():
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coefficient = int(molecule[0])
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pretty_name = molecule = molecule[1:]
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else:
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coefficient = 1
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pretty_name = molecule
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# 以大写字母为分隔符，分割化学式
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molecule = re.split(r'([A-Z][a-z]*)', molecule)
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molecule = [i for i in molecule if i != '']
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# 将原子团提取出来单独处理
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atomic_clusters = []
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for i in range(len(molecule)):
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if molecule[i] == '(':
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j = i + 1
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while molecule[j][0] != ')':
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j += 1
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if j == len(molecule):
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raise ValueError('括号不匹配')
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for k in range(i, j + 1):
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atomic_clusters.append(molecule[k])
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for k in range(i, j + 1):
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molecule[k] = ''
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# 如果出现单个数字，说明该数字是系数，将其追加到上一个原子/原子团（非空字符串）的后面
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if molecule[i].isdigit():
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while molecule[i - 1] == '':
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i -= 1
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if i == 0:
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raise ValueError('系数错误')
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molecule[i - 1] += molecule[i]
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molecule[i] = ''
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molecule = [i for i in molecule if i != '']
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atoms = []
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for i in molecule:
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atoms.append(parse_atom(i))
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# 解析原子团
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if len(atomic_clusters) != 0:
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parsed_atomic_clusters = parse_atomic_clusters(atomic_clusters)
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for each in parsed_atomic_clusters['atoms']:
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quantity = each[list(each.keys())[0]] * parsed_atomic_clusters['coefficient']
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each[list(each.keys())[0]] = quantity
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atoms.append(each)
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parsed_atom = {
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'atoms': atoms,
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'coefficient': coefficient,
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'pretty_name': pretty_name
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}
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return combine_same_atom(parsed_atom)
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def parse_equation(eq):
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"""
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将化学方程式转化为字典
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:param eq: 化学方程式
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:return: 化学方程式的字典表示
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"""
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eq = eq.replace(' ', '')
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eq = eq.replace('->', '=')
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eq = eq.replace('=', '=>')
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eq = eq.split('=>')
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left = eq[0]
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right = eq[1]
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left = left.split('+')
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right = right.split('+')
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left = [parse_molecule(molecule) for molecule in left]
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right = [parse_molecule(molecule) for molecule in right]
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return {
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'left': left,
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'right': right
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}
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# 目前已知的原子列表
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known_atoms = ['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K',
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'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr',
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'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I',
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'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb',
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'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr',
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'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf',
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'Db', 'Sg', 'Bh', 'Hs', 'Mt', 'Ds', 'Rg', 'Cn', 'Nh', 'Fl', 'Mc', 'Lv', 'Ts', 'Og']
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class IllegalAtomException(Exception):
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"""
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元素名称不合法时引发的异常
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"""
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pass
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def check_atom(atom):
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"""
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判断元素名称是否合法
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:param atom: 元素名称
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:return: 无
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若不合法，抛出异常
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"""
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if atom not in known_atoms:
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raise IllegalAtomException('Illegal atom: {}'.format(atom))
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