Prettier cjson formatting

matterhorn103 · Dec 11, 2023 · 7b09f3b · 7b09f3b
1 parent 854ac4e
commit 7b09f3b
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Showing 6 changed files with 5 additions and 50 deletions.
diff --git a/conformers.py b/conformers.py
@@ -244,7 +244,7 @@ def run_crest(command, geom_file, charge=0, multiplicity=1):
 
         # Save result
         with open(calc_dir / "result.cjson", "w", encoding="utf-8") as save_file:
-            json.dump(result["cjson"], save_file)
+            json.dump(result["cjson"], save_file, indent=2)
 
         # If user specified a save location, copy calculation directory to there
         if Path(avo_input["save_dir"]) != calc_dir:

diff --git a/debug.py b/debug.py
diff --git a/freq.py b/freq.py
@@ -118,6 +118,6 @@ def frequencies(geom_file, charge=0, multiplicity=1):
 
         # Save result
         with open(calc_dir / "result.cjson", "w", encoding="utf-8") as save_file:
-            json.dump(result["cjson"], save_file)
+            json.dump(result["cjson"], save_file, indent=2)
         # Pass back to Avogadro
         print(json.dumps(result))
diff --git a/ohess.py b/ohess.py
@@ -149,6 +149,6 @@ def opt_freq(geom_file, charge=0, multiplicity=1):
 
         # Save result
         with open(calc_dir / "result.cjson", "w", encoding="utf-8") as save_file:
-            json.dump(result["cjson"], save_file)
+            json.dump(result["cjson"], save_file, indent=2)
         # Pass back to Avogadro
         print(json.dumps(result))
diff --git a/opt.py b/opt.py
@@ -116,6 +116,6 @@ def optimize(geom_file, charge=0, multiplicity=1):
 
         # Save result
         with open(calc_dir / "result.cjson", "w", encoding="utf-8") as save_file:
-            json.dump(result["cjson"], save_file)
+            json.dump(result["cjson"], save_file, indent=2)
         # Pass back to Avogadro
         print(json.dumps(result))
diff --git a/run.py b/run.py
@@ -248,7 +248,7 @@ def parse_energy(output_string):
 
         # Save result
         with open(calc_dir / "result.cjson", "w", encoding="utf-8") as save_file:
-            json.dump(result["cjson"], save_file)
+            json.dump(result["cjson"], save_file, indent=2)
 
         # If user specified a save location, copy calculation directory to there
         if Path(avo_input["save_dir"]) != calc_dir: