X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=ctest%2Fcluster_wham_check.sh;fp=ctest%2Fcluster_wham_check.sh;h=4c043cd139b071c6d39f96f6321f62f1ea7b6a97;hp=0000000000000000000000000000000000000000;hb=9453fc761eb545fcb727824c94d012dbf3931951;hpb=6f521277aa2a382d409f5189957283b0998b0d07

diff --git a/ctest/cluster_wham_check.sh b/ctest/cluster_wham_check.sh
new file mode 100755
index 0000000..4c043cd
--- /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 does 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
+