From d430ca818e62aeae82f75cf3687093f1f63bf28a Mon Sep 17 00:00:00 2001
From: jrudz <rudzinski@mpip-mainz.mpg.de>
Date: Tue, 26 Mar 2024 15:34:22 +0100
Subject: [PATCH] fixed regex to skip lines in log with variables

---
 atomisticparsers/lammps/parser.py | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/atomisticparsers/lammps/parser.py b/atomisticparsers/lammps/parser.py
index 77c2bbd8..dea95aac 100644
--- a/atomisticparsers/lammps/parser.py
+++ b/atomisticparsers/lammps/parser.py
@@ -658,6 +658,8 @@ def __init__(self):
 
     def init_quantities(self):
         def str_op(val):
+            if "${" in val:
+                return None
             val = val.split("#")[0]
             val = val.replace("&\n", " ").split()
             val = val if len(val) > 1 else val[0]
@@ -666,7 +668,7 @@ def str_op(val):
         self._quantities = [
             Quantity(
                 name,
-                r"\n\s*%s\s+([\w\. \/\#\-]+)(\&\n[\w\. \/\#\-]*)*" % name,
+                r"\n\s*%s\s+(?!.*\$\{)([${}\w\. \/\#\-]+)(\&\n[\w\. \/\#\-]*)*" % name,
                 str_operation=str_op,
                 comment="#",
                 repeats=True,