def main_user_coordinates(filename,delta_t,arguments): #arguments will be a nested list with the desired coordinates. workfile = tools.readfile(filename) geoms = tools.trajectory_extractor(filename) internals = [ check_internal(geoms,argument) for argument in arguments ] coordinates = zip(*internals) times_all = tools.times(workfile ,delta_t)[0] times_hop = tools.times(workfile ,delta_t)[1] time_internals = zip(times_all,coordinates) inds = [times_all.index(i) for i in times_hop] time_internals_hop = [time_internals[j] for j in inds] return (time_internals , time_internals_hop)
def getgeoms(filename): g = tools.trajectory_extractor(filename) return g