From 8b7007cfed766c75f6d4025316f6867aa1373c39 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Thu, 1 Mar 2018 10:13:02 +0100
Subject: [PATCH] regtests
---
regtest/basic/rt-make-exceptions/main.cpp | 2 ++
regtest/basic/rt-make-exceptions/output.reference | 4 ++++
2 files changed, 6 insertions(+)
diff --git a/regtest/basic/rt-make-exceptions/main.cpp b/regtest/basic/rt-make-exceptions/main.cpp
index 4bc166454..41819b5dc 100644
--- a/regtest/basic/rt-make-exceptions/main.cpp
+++ b/regtest/basic/rt-make-exceptions/main.cpp
@@ -90,6 +90,8 @@ int main(){
test_line(ofs,plumed,"d: RMSD REFERENCE=test-too-many-atoms.pdb");
test_line(ofs,plumed,"d: RMSD TYPE=OPTIMAL REFERENCE=test_zero_displace_weight.pdb");
test_line(ofs,plumed,"d: RMSD TYPE=OPTIMAL REFERENCE=test_zero_align_weight.pdb");
+ test_line(ofs,plumed,"d: RMSD TYPE=SIMPLE REFERENCE=test_zero_displace_weight.pdb");
+ test_line(ofs,plumed,"d: RMSD TYPE=SIMPLE REFERENCE=test_zero_align_weight.pdb");
test_line(ofs,plumed,"d: DRMSD REFERENCE=missing.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=15.0");
// these should not fail
diff --git a/regtest/basic/rt-make-exceptions/output.reference b/regtest/basic/rt-make-exceptions/output.reference
index c454fce33..6fb48b635 100644
--- a/regtest/basic/rt-make-exceptions/output.reference
+++ b/regtest/basic/rt-make-exceptions/output.reference
@@ -44,6 +44,10 @@ readInputLine d: RMSD TYPE=OPTIMAL REFERENCE=test_zero_displace_weight.pdb
+++ catched
readInputLine d: RMSD TYPE=OPTIMAL REFERENCE=test_zero_align_weight.pdb
+++ catched
+readInputLine d: RMSD TYPE=SIMPLE REFERENCE=test_zero_displace_weight.pdb
++++ catched
+readInputLine d: RMSD TYPE=SIMPLE REFERENCE=test_zero_align_weight.pdb
++++ catched
readInputLine d: DRMSD REFERENCE=missing.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=15.0
+++ catched
readInputLine RESTRAINT ARG=x(d) KAPPA=5 AT=0
--
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