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classes.py
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#!/usr/bin/env python3
# -*- coding:utf-8 -*-
# @Time : 2018-04-10 15:02
# @Author : PengZhw
# @Software: PyCharm
import math
class Point:
"""
一个点对象，只有坐标信息和刷新函数
"""
def __init__(self, x: float, z: float, y: float):
self.x = x
self.z = z
self.y = y
self.coordinate = [self.x, self.y, self.z]
def refresh(self):
self.coordinate = [self.x, self.y, self.z]
class Flat: # 认为平面一定平行于XOZ平面
def __init__(self, p1: Point, p2: Point, p3: Point, p4: Point):
"""
四个点必须按相邻顺序传入
"""
self.y = (p1.y + p2.y + p3.y + p4.y) / 4 # y坐标的平均值作为平板的y
self.p1, self.p2, self.p3, self.p4 = p1, p2, p3, p4
self.p1.y, self.p2.y, self.p3.y, self.p4.y = self.y, self.y, self.y, self.y
def tell_corner(self):
self.p1.refresh()
self.p2.refresh()
self.p3.refresh()
self.p4.refresh()
print("平面的四个顶点分别是：", self.p1.coordinate, self.p2.coordinate, self.p3.coordinate, self.p4.coordinate)
def if_cover(self, p):
# 用余弦定理判断给定点的投影是否在平板内
def angle(p_a, p_b, p_c):
a = math.sqrt((p_b.x - p_c.x) ** 2 + (p_b.z - p_c.z) ** 2)
b = math.sqrt((p_c.x - p_a.x) ** 2 + (p_c.z - p_a.z) ** 2)
c = math.sqrt((p_b.x - p_a.x) ** 2 + (p_b.z - p_a.z) ** 2)
if (b ** 2 + c ** 2 - a ** 2) / (2 * b * c) > 1:
return math.acos(1)
elif (b ** 2 + c ** 2 - a ** 2) / (2 * b * c) < -1:
return math.acos(-1)
alpha = math.acos((b ** 2 + c ** 2 - a ** 2) / (2 * b * c))
return alpha
bete = angle(p, self.p1, self.p2) + angle(p, self.p2, self.p3) + angle(p, self.p3, self.p4) + angle(p, self.p4,
self.p1)
if round(bete, 5) == round(math.pi * 2, 5):
# print(round(bete, 5), round(math.pi * 2, 5))
return True
else:
# print(round(bete, 5), round(math.pi * 2, 5))
return False
class Box: # 每N个石墨烯片层能得到N-1个Box实例，但有些情况下会舍弃某片层
def __init__(self, flat_1: Flat, flat_2: Flat):
"""
:param flat_1: y值小的平面
:param flat_2: y值大的平面
"""
if flat_1.y > flat_2.y:
self.flat_1, self.flat_2 = flat_2, flat_1
elif flat_1.y < flat_2.y:
self.flat_1, self.flat_2 = flat_1, flat_2
def if_inside(self, p):
# print("\n读入点", p.coordinate, "...")
if p.y > self.flat_2.y or p.y < self.flat_1.y: # 如果点p的y坐标不在两片层之间，返回否
# print("点", p.coordinate, "的y坐标不在两片层之间。")
return False
elif not self.flat_1.if_cover(p): # 如果下平面没有覆盖到点p，返回否
# print("下平面没有覆盖到点", p.coordinate, "。")
return False
elif not self.flat_2.if_cover(p):
# print("上平面没有覆盖到点", p.coordinate, "。")
return False
# print("点", p.coordinate, "的y坐标在两片层之间，且投影被上下平面均覆盖到。")
return True # 否则就只能在两片层之间了咯
class GrapheneC(Point):
def __init__(self, x, z, y, n, name):
Point.__init__(self, x, z, y)
self.n = n # n是指这是第几片石墨烯里面的碳
self.name = name # 名字（pdb里面的总序号）
class CO2C(Point):
def __init__(self, x, z, y, name, mol_n):
Point.__init__(self, x, z, y)
self.name = name # 名字（pdb里面的总序号）
self.mol_n = mol_n
class GraShp(Flat):
def __init__(self, c1, c2, c3, c4):
Flat.__init__(self, c1, c2, c3, c4)
def main():
print("==========================================\n测试内容开始\n")
grac = GrapheneC(0, 0, 0.2, 1, None)
print(grac.coordinate)
P1 = Point(0, 0, 0.2)
P2 = Point(3, 0, -0.1)
P3 = Point(3, 2, 0.1)
P4 = Point(0, 2, 0)
P5 = Point(1, 0, 2.8)
P6 = Point(2, 0, 3.1)
P7 = Point(2, 3, 3.4)
P8 = Point(0, 3, 2.9)
FLAT_1 = Flat(P1, P2, P3, P4)
FLAT_1.tell_corner()
FLAT_2 = Flat(P5, P6, P7, P8)
FLAT_2.tell_corner()
box = Box(FLAT_1, FLAT_2)
result = box.if_inside(Point(1.5, 1, 2))
print(result)
result_1 = box.if_inside(Point(0.1, 0, 0))
print(result_1)
print("\n测试内容结束\n==========================================")
if __name__ == '__main__':
main()