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Replace old-style printf with str.format

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Nathan Baker
2020-05-28 16:10:48 -07:00
parent 3266521d31
commit ba67f5149d
11 changed files with 231 additions and 202 deletions
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21
propka/coupled_groups.py
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@@ -369,16 +369,17 @@ class NonCovalentlyCoupledGroups:
"(difference: {diff_pka:>6.2f})\n"
" Swapped pKa's: {swap1:>6.2f}, {swap2:>6.2f} "
"(difference: {shift1:>6.2f}, {shift2:>6.2f})"
).format(
label1=group1.label, label2=group2.label,
coupl_fact=data['coupling_factor'], def_energy=data['default_energy'],
swap_energy=data['swapped_energy'],
diff_energy=data['default_energy']-data['swapped_energy'], ph=data['pH'],
int_energy=data['interaction_energy'], pka1=group1.intrinsic_pka,
pka2=group2.intrinsic_pka,
diff_pka=group1.intrinsic_pka-group2.intrinsic_pka,
swap1=data['swapped_pka1'], swap2=data['swapped_pka2'],
shift1=data['pka_shift1'], shift2=data['pka_shift2'])
).format(
label1=group1.label, label2=group2.label,
coupl_fact=data['coupling_factor'],
def_energy=data['default_energy'],
swap_energy=data['swapped_energy'],
diff_energy=data['default_energy']-data['swapped_energy'],
ph=data['pH'], int_energy=data['interaction_energy'],
pka1=group1.intrinsic_pka, pka2=group2.intrinsic_pka,
diff_pka=group1.intrinsic_pka-group2.intrinsic_pka,
swap1=data['swapped_pka1'], swap2=data['swapped_pka2'],
shift1=data['pka_shift1'], shift2=data['pka_shift2'])
return str_