with open('/path/to/file.txt', 'r') as inputFile:
for line in inputFile:
try:
# Skip lines until we find an entry
while len(line) < 5 or line[:5] != 'ENTRY':
line = inputFile.next()
# Setup for logging that entry
cmNm = line.split()
cmName = []
# Append all name lines
while len(line) < 7 or line[:7] != 'FORMULA':
cmName.append(line)
line = inputFile.next()
# Process cmNm/cmName for current compound before moving on
print (str(cmNm) + " " + str(cmName))
except StopIteration:
pass # Reached end of file
cmNm包含入口行的拆分列表
cmName包含组成名称的行的列表。在
您必须添加任何要存储/格式化cmNm和cmName的处理。我只是让它按原样打印出来。在
只要最后一个有效的条目有一个FORMULA,就可以在stopieration上安全地pass。在