From 26fc3034e10e261b4857324328bc67075bc8e9d5 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski 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