From 26fc3034e10e261b4857324328bc67075bc8e9d5 Mon Sep 17 00:00:00 2001
From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Thu, 10 Mar 2016 15:39:21 +0100
Subject: [PATCH] ctest correction to previous commit

---
 ctest/cluster_wham_check.sh |   23 +++++++++++++++++++++++
 1 file changed, 23 insertions(+)
 create mode 100755 ctest/cluster_wham_check.sh

diff --git a/ctest/cluster_wham_check.sh b/ctest/cluster_wham_check.sh
new file mode 100755
index 0000000..2d39591
--- /dev/null
+++ b/ctest/cluster_wham_check.sh
@@ -0,0 +1,23 @@
+#!/bin/bash
+
+if [ "$1" == "1L2Y_clust" ]; then
+ file=1L2Y_wham_T280K_ave.pdb
+else
+ exit 1
+fi
+
+# Check if file exist
+if [ ! -f $file ]; then
+    echo "CRITICAL: out $file do not exist"
+    exit 2
+fi
+
+fam=`grep THERE 1L2Y_clust_clust.out_000|awk '{print $3}'`
+grep THERE 1L2Y_clust_clust.out_000
+grep REMARK 1L2Y_wham*[1-9].pdb
+
+ if [ "$fam" != "5" ]; then
+  echo 'ERROR: number of families not equal 5'
+  exit 1
+ fi
+
-- 
1.7.9.5