Convert the values from dictionary to list format in Python

Question

I ran a Python code and here is the full code as follows :

    import MDAnalysis as mda
    import matplotlib.pyplot as plt
    %matplotlib inline
    u = mda.Universe('nptmd.tpr','nptmd.xtc')
    H = u.select_atoms('byres(name OW HW1 HW2)')
    A = u.select_atoms('byres(name OW HW1 HW2)')
    D = u.select_atoms('byres(name OW HW1 HW2)')
    hb_ac = hbonds.HydrogenBondAutoCorrel(u, acceptors=A, hydrogens=H, donors=D,bond_type='continuous',sample_time=5,nruns=20000,nsamples=10,pbc=True,angle_crit=130.0, dist_crit=3.0)
    hb_ac.run()
    hb_ac.solve()
    time = hb_ac.solution['time']
    results = hb_ac.solution['results']
    tau = hb_ac.solution['tau']
    fit=hb_ac.solution['fit']
    estimate = hb_ac.solution['estimate']
    print("{time} {results}".format(time=time,results=results))
    print("{time} {estimate}".format(time=time,estimate=estimate))
    plt.figure(1,figsize=(15, 5))
    plt.figure(1,figsize=(15, 5))
    plt.subplot(122)
    plt.xlabel('time')
    plt.ylabel('HBLc')
    plt.title('HBL Continuos')
    plt.plot(time,results, 'ro')
    plt.plot(time,estimate)
    plt.show()
    print (tau)

The results I am getting as:-

[0. 0.5 1. 1.5 2. 2.5 3. 3.5 4.] [1.0000000e+00 5.2790266e-01 3.2588491e-01 2.1265593e-01 1.4223534e-01 9.6894175e-02 6.6584438e-02 4.6033673e-02 3.1977266e-02]

But I want the results as:

0.  1.0000000e+00

0.5 5.2790266e-01

1.  3.2588491e-01 

1.5 2.1265593e-01

2.  1.4223534e-01

2.5 9.6894175e-02

3.  6.6584438e-02

3.5 4.6033673e-02

4.  3.1977266e-02

How can I get the output as the above one..?

Any suggestions are highly appreciated.

What you have is not a dictionary; it is a list of lists. I suggest you to read the documentation on zip() function to transpose it into a format that you can use. — Selcuk
– Selcuk, Commented May 3, 2018 at 3:45
Yes, I want the results in the latter format. So any suggestions... — D.H.N
– D.H.N, Commented May 3, 2018 at 3:50
Yes, my suggestion is to read the documentation. If you want a more specific answer you should post your actual code, especially the part that generates tau. — Selcuk
– Selcuk, Commented May 3, 2018 at 4:45
I have now edited the code, and i have now put the actual full code in the question. — D.H.N
– D.H.N, Commented May 3, 2018 at 5:13

perreal · Accepted Answer · 2018-05-03 05:34:33Z

1

This shows how to print a list of lists:

a = [ [1, 2, 3, 4], [11, 12, 13, 14]]

# as tuples
for row in zip(a[0], a[1]):
    print row 

# as formated output
for row in zip(a[0], a[1]):
    print "{} {}".format(*row)

If you want your exact data structure to be used post a minimal code that can just run without any modification or external data.

answered May 3, 2018 at 5:34

perreal

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1 Comment

D.H.N Over a year ago

I am getting the values as [0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0] [1.0000000e+00 5.2790266e-01 3.2588491e-01 ...] but i want the values as: 0.0 1.0000000e+00 0.5 5.2790266e-01 1.0 3.2588491e-01 1.5 2.1265593e-01

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