From 3219b7970f54191a6ff8c9a22b517080d63d68b2 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Mon, 8 Jan 2024 09:25:14 +0100
Subject: [PATCH] compare-structures: avoid writing NaN to JSON
---
actions/ost-compare-structures | 3 ++-
1 file changed, 2 insertions(+), 1 deletion(-)
diff --git a/actions/ost-compare-structures b/actions/ost-compare-structures
index fbae451dc..cfaabbd37 100644
--- a/actions/ost-compare-structures
+++ b/actions/ost-compare-structures
@@ -81,6 +81,7 @@ import json
import time
import sys
import traceback
+import math
from ost import io
from ost.mol.alg import scoring
@@ -497,7 +498,7 @@ def _ParseArgs():
def _RoundOrNone(num, decimals = 3):
""" Helper to create valid JSON output
"""
- if num is None:
+ if num is None or math.isnan(num) or math.isinf(num):
return None
return round(num, decimals)
--
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