Question

我正在为计算物理项目编写代码。

我想知道如何通过在类的实例中添加一个数组来实现python中的类。

这是我原来的代码部分：

class Particle():
    def __init__(self, (x,y,z), n, radius, neighbours):

         self.n = n
         self.x = x
         self.y = y
         self.z = z
         self.radius = radius




number  = loadtxt("final_limited.txt", usecols=(0,), unpack=True, dtype = int)
c1,c2,c3,r = loadtxt("final_limited.txt", usecols=(1,2,3,5), unpack=True, dtype=float)





number_of_particles = len(number)
my_particles        = []
overlap             = []
contact_number      = []




for i in range(number_of_particles):
    n = number[i]
    x = c1[i]
    y = c2[i]
    z = c3[i]
    radius = r[i]
    neighbours = []

    particle = Particle((x,y,z), n, radius, neighbours)
    my_particles.append(particle)


for particle1 in my_particles:
    count = 0
    for particle2 in my_particles:
        distance = PBCdist(particle1, particle2)
        sum_of_radii = Sum_radii(particle1, particle2)
        if (distance < sum_of_radii) and (distance>0):
            count +=1

            olap = (Decimal(sum_of_radii) - Decimal(distance))
            overlap.append(olap)
    contact_number.append(count)

我想做以下事情：

class Particle():
    def __init__(self, (x,y,z), n, radius, neighbours):
        neighbours = []
        self.n = n
        self.x = x
        self.y = y
        self.z = z
        self.radius = radius
        self.neighbours = neighbours

然后，在嵌套循环中：

for particle1 in my_particles:
    count = 0
    for particle2 in my_particles:
        distance = PBCdist(particle1, particle2)
        sum_of_radii = Sum_radii(particle1, particle2)
        if (distance < sum_of_radii) and (distance>0):
             count +=1
             neighbours.append(particle2.n)
             olap = (Decimal(sum_of_radii) - Decimal(distance))
             overlap.append(olap)
    contact_number.append(count)

正如您所看到的，我想将每个粒子的关联作为其邻居列表作为该类的每个元素的属性。

但是，当我检查它时，此代码不起作用。我希望能说出类型：

print my_particles[0].neighbours

获取清单。

此外，你知道是否有一个像浮动的Numpy dtype可以给我所需的20-21位小数？使用float数据类型我的代码当然更快（10次），但我想使用一个允许完全精度的numpy类型，而不是Decimal。

Answer 1

使用空列表替换neighbors参数

def __init__(self, (x,y,z), n, radius, neighbours):
     neighbours = []  # <- HERE
     self.neighbours = neighbours

删除该行，您应该能够访问邻居列表。

当我访问对象上的列表时，它错误地返回为空列表

1 个答案: