From 048a4b53025f3bdebb8ca467c9b98d54a94058f1 Mon Sep 17 00:00:00 2001
From: Leandro Martinez <lmartine@unicamp.br>
Date: Fri, 12 Jul 2024 09:52:27 -0300
Subject: [PATCH] restore testing of generation of failed packing files

---
 testing/test.sh        |  5 ++++-
 testing/test_failed.sh | 24 ++++++++++++++++++++++++
 2 files changed, 28 insertions(+), 1 deletion(-)
 create mode 100755 testing/test_failed.sh

diff --git a/testing/test.sh b/testing/test.sh
index 3467aab..4c33e00 100755
--- a/testing/test.sh
+++ b/testing/test.sh
@@ -4,4 +4,7 @@
 curl -fsSL https://install.julialang.org | sh
 # Run the tests
 julia runtests.jl water_box.inp \
-                  ieee_signaling.inp
\ No newline at end of file
+                  ieee_signaling.inp 
+
+# check if output files are properly generated in a failed run
+./test_failed.sh water_box_failed.inp packmol.log "FORCED" 
diff --git a/testing/test_failed.sh b/testing/test_failed.sh
new file mode 100755
index 0000000..45ad787
--- /dev/null
+++ b/testing/test_failed.sh
@@ -0,0 +1,24 @@
+#!/bin/bash
+#
+# First argument: input file name
+# Second argument: log file name
+#
+# Third argument: string to be searched in the log file, to declare that
+# the test passed
+#
+# Example: ./test.sh "water_box.inp" "packmol.log" "FORCED"
+#
+if ! [ -f $1 ]; then
+    echo "Error: input file not found: $1"
+    exit 1
+fi
+../packmol < $1 > $2
+if ! [ -f $2 ]; then
+    echo "Error: Log file not generated: $2"
+    exit 1
+fi
+if ! grep -q $3 $2; then
+    echo "Error: could not find $3 in $2"
+    exit 1
+fi
+exit 0