hop_count.py'

#!/usr/bin/env python 
#

import os
workdir = os.getcwd()

transitions = 0
accumulatedhops = 0
old_id = "1"
source_id = "1"


r1 = open('hop_count_simple-transitions.ts','w')
r2 = open('hop_count_ht_accumulated.ts','w')

f = open('id.txt',"r")
content = f.readlines()
f.close()
for contentline in content:
	if not contentline.startswith("#"):
		frame, ox_id = contentline.split()
		#if id remains the same, do nothing
		if not ox_id == old_id: #if id changes:
			transitions = transitions +1
			accumulatedhops = accumulatedhops +1
			if ox_id == source_id: #check if this is the previous oxygen. if so, the proton went back to the source
				accumulatedhops = accumulatedhops -2 #so effectively -1
			else:
				source_id = old_id #if this is not a backhop but a forward one, update the proton source id
		old_id = ox_id # update the current reading frame
		r1.write(frame+'\t'+str(transitions)+'\n')
		r2.write(frame+'\t'+str(accumulatedhops)+'\n')
print("number of hops in total: " + str(transitions)+'\n')
print("number of accumulated hops: " + str(accumulatedhops)+'\n')
r1.close()
r2.close()