python实现mask矩阵示例(根据列表所给元素)

行和列的位置都在以下三个列表中的一列中，则对应位置为1，其余位置全为0

——[7-56,239-327,438-454,522-556,574-586]

——[57-85,96-112,221-238]

——[113-220,328-437,455-521,557-573]

代码实现

def generateMaskBasedOnDom(dom_path, length):
 """
 :param dom_path: this is a file path, which contains the following information:
 [7-56,239-327,438-454,522-556,574-586][57-85,96-112,221-238][113-220,328-437,455-521,557-573]
 each [...] means one domain
 :param length: this is the length of this protein
 :return: the mask matrix with size length x length, 1 means inner domain residue pair, otherwise 0
 """
 # 读取文件
 with open(dom_path, "r", encoding="utf-8") as file:
   contents = file.readlines()

# 获得mask位置数据
 list0 = []
 list1 = []
 list2 = []
 for list_idx, content in enumerate(contents):
   num_range_list = content.strip()[1:-1].split(",")
   for num_range in num_range_list:
     start_num = int(num_range.split("-")[0])
     end_num = int(num_range.split("-")[1])
     for num in range(start_num, end_num+1):
       if list_idx == 0:
         list0.append(num)
       elif list_idx == 1:
         list1.append(num)
       else:
         list2.append(num)

mask = np.zeros((length, length))
 # 遍历矩阵每个元素
 for row in range(mask.shape[0]):
   for col in range(mask.shape[1]):
     if (row in list0 and col in list0) or (row in list1 and col in list1) or (row in list2 and col in list2):
       mask[row][col] = 1

return mask

if __name__ == "__main__":

# if no dom file ,please get dom file first
 with open("dom.txt", "w", encoding="utf-8") as f:
   f.write("[7-56,239-327,438-454,522-556,574-586]" + "\n" + "[57-85,96-112,221-238]" + "\n" + "[113-220,328-437,455-521,557-573]")

file_path = "./dom.txt"
 protein_length = 1000  # mask_matrix size
 mask_matrix = generateMaskBasedOnDom(file_path, protein_length)
 print("*************Generate Mask Matrix Successful!*************")

# 随机测试几组
 print(mask_matrix[7][56]) # 1
 print(mask_matrix[7][239]) # 1
 print(mask_matrix[8][57])  # 0
 print(mask_matrix[57][95]) # 0
 print(mask_matrix[113][573]) # 1

来源：https://blog.csdn.net/weixin_44912159/article/details/107395081