fix small bug appeared during PR review

NMRLipids · Nov 18, 2024 · 39a059d · 39a059d
1 parent 1c33a67
commit 39a059d
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Showing 2 changed files with 4 additions and 3 deletions.
diff --git a/...634b72a5467fa6dc5b67767a764db0931/00efd2d1108a76498201aecd69f82d12efc0368a/thickness.json b/...634b72a5467fa6dc5b67767a764db0931/00efd2d1108a76498201aecd69f82d12efc0368a/thickness.json
@@ -0,0 +1 @@
+4.41614
diff --git a/Scripts/DatabankLib/analyze.py b/Scripts/DatabankLib/analyze.py
@@ -30,7 +30,7 @@
 from DatabankLib import analyze_nmrpca as nmrpca
 
 
-def computeNMRPCA(system: dict, recompute: bool = False) -> int:
+def computeNMRPCA(system: dict, logger: Logger, recompute: bool = False) -> int:
     """Compute eq_times.json using NMR PCA analysis.
 
     Args:
@@ -111,7 +111,7 @@ def computeNMRPCA(system: dict, recompute: bool = False) -> int:
     return RCODE_COMPUTED
 
 
-def computeAPL(system: dict, recompute: bool = False) -> int:
+def computeAPL(system: dict, logger: Logger, recompute: bool = False) -> int:
     """Generate apl.json analysis file for a system.
 
     Args:
@@ -162,7 +162,7 @@ def computeAPL(system: dict, recompute: bool = False) -> int:
     return RCODE_COMPUTED
 
 
-def computeTH(system: dict, recompute: bool = False) -> int:
+def computeTH(system: dict, logger: Logger, recompute: bool = False) -> int:
     thickFN = os.path.join(NMLDB_SIMU_PATH, system['path'], 'thickness.json')
     if (os.path.isfile(thickFN) and not recompute):
         # file exist. Skipping