On Monday, May 16, 2022 at 11:27:58 PM UTC+8, Dennis Lee Bieber wrote:
> On Mon, 16 May 2022 02:03:26 -0700 (PDT), "hongy...@gmail.com"
> <hongy...@gmail.com> declaimed the following:
>
>
> >print(lst)
>
> Printing higher level structures uses the repr() of the structure and
> its contents -- theoretically a form that could be used within code as a
> literal.
I tried with the repr() method as follows, but it doesn't give any output:
```
import os,sys
import numpy as np
from fractions import Fraction
import re
from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
from pymatgen.core import Lattice, Structure, Molecule, IStructure
def filepath(file):
script_dirname=os.path.dirname(os.path.realpath(__file__))
return (script_dirname + '/' + file)
s=IStructure.from_file(filepath('EntryWithCollCode136212.cif'))
a = SpacegroupAnalyzer(s)
SymOp=a.get_symmetry_operations()
b=SymOp[1].affine_matrix.tolist()
def strmat(m):
if(np.array([m]).ndim==1):
return str(Fraction(m))
else: return list(map(lambda L:strmat(L), np.array(m)))
lst=[]
for i in SymOp:
lst.append(i.affine_matrix.tolist())
a=str(strmat(lst))
a=re.sub(r"'","",a)
repr(a)
```
> If you want human-readable str() you will need to write your own
> output loop to do the formatting of the structure, and explicitly print
> each item of the structure.
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