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updated trajectory info so that it shows atoms full name, element sym…
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…bol and count.
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ChiCheng45 committed Mar 5, 2024
1 parent 5136707 commit d8c08f1
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions MDANSE_GUI/Src/MDANSE_GUI/Tabs/Visualisers/TrajectoryInfo.py
Original file line number Diff line number Diff line change
Expand Up @@ -49,9 +49,9 @@ def summarise_chemical_system(self, cs):
text = "\n ==== Chemical System summary ==== \n"
counter = defaultdict(int)
for atom in cs.atom_list:
counter[atom] += 1
counter[(atom.full_name, atom.symbol)] += 1
for key, value in counter.items():
text += f"{value} {key} atoms\n"
text += f"Full Name: {key[0]}; Element: {key[1]}; Count: {value}\n"
text += " ===== \n"
return text

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