fixed a python3-specific bug in ttree.py causing expressions containi…

…ng ".." (like "@atom:../A") to sometimes cause an uncaught exception

moltemplate/scripts/moltemplate.sh

@@ -6,8 +6,8 @@
 # Copyright (c) 2013
 
 G_PROGRAM_NAME="moltemplate.sh"
-G_VERSION="2.18.3"
-G_DATE="2020-7-26"
+G_VERSION="2.18.4"
+G_DATE="2020-8-05"
 
 echo "${G_PROGRAM_NAME} v${G_VERSION} ${G_DATE}" >&2
 echo "" >&2

moltemplate/ttree.py

@@ -102,8 +102,8 @@
 g_module_name = g_filename
 if g_filename.rfind('.py') != -1:
     g_module_name = g_filename[:g_filename.rfind('.py')]
-g_date_str = '2020-7-09'
-g_version_str = '0.86.4'
+g_date_str = '2020-8-05'
+g_version_str = '0.86.5'
 
 
 class ClassReference(object):
@@ -4317,7 +4317,12 @@ def AssignStaticVarPtrs(context_node, search_instance_commands=False):
             AssignTemplateVarPtrs(command.tmpl_list, context_node)
 
     # Recursively invoke AssignVarPtrs() on all (non-leaf) child nodes:
-    for child in context_node.children.values():
+    #old code:
+    # for child in context_node.children.values():
+    #new code (make copy before iterating since children are added during loop):
+    # for child in context_node.children.copy().values():
+    #this also works:
+    for child in list(context_node.children.values()):
         AssignStaticVarPtrs(child, search_instance_commands)
 
 

setup.py

@@ -45,9 +45,9 @@
 
   url='https://github.com/jewettaij/moltemplate',
 
-  download_url='https://github.com/jewettaij/moltemplate/archive/v2.18.3.zip',
+  download_url='https://github.com/jewettaij/moltemplate/archive/v2.18.4.zip',
 
-  version='2.18.3',
+  version='2.18.4',
 
   keywords=['simulation', 'LAMMPS', 'molecule editor', 'molecule builder',
             'ESPResSo'],