Appending data from a function into a File

Question

I have written the code below to create a function that creates a file of N particle positions in the file .xyz format which can be used to display particle trajectories.

However I am a little unsure of a few things.

Firstly, I want to create and write a file so that it is displayed like so...

 Point = 1
 p1 x11 y11 z11 
 p2 x21 y21 z21

Where all the lines are strings and taking i = 1 and j = 1,2 in this instance.

I feel that I have most definitely incorrectly written the sections of code where I have to append the .xyz file.

I should also note that...

co_ord_data = particles[j].str()

returns 4 strings.

(Main Code)

def VMD_init(timestep, filename)

particle_trajectory = open("filename", "a+")

for i in range(timestep):

    if i % 5:

        particle_trajectory.write("Point = i")

        for j in len(particles):

            co_ord_data = particles[j].str()

            particle_trajectory.write("co_ord_data")

    else:

I hope I have managed to explain this clearly enough! Please feel free to reply asking me to try and explain it again.

Any help is much appreciated!

Thank you :-)

Don't put quotes around the variable name, that prevents using the value. — Barmar, Mar 13 '18 at 23:40
"returns 4 strings". Do you mean it returns a list of 4 strings, or it returns a single string with 4 space-separated words? — Barmar, Mar 13 '18 at 23:41
You need to add newlines to the end of the strings you write to the file. — Barmar, Mar 13 '18 at 23:42
@Barmar it basically returns `str(label) + str(pos1) + str(pos2) +str(pos3)` — Jordan Vance, Mar 13 '18 at 23:51
@Barmar so instead it should be `particle_trajectory.write(co_ord_data/n)`? — Jordan Vance, Mar 13 '18 at 23:52
@Barmar thank you very much for your quick pointers by the way, much appreciated! :) — Jordan Vance, Mar 13 '18 at 23:53
`.write(co_ord_data)` You can't divide a string by a number. — Barmar, Mar 13 '18 at 23:58
@Barmar yeah my apologies, im fairly new to python, but thank you — Jordan Vance, Mar 14 '18 at 00:00

Appending data from a function into a File

0 Answers0