From b2560dca2310faf970827c0aabb1d8c2a5284863 Mon Sep 17 00:00:00 2001 From: Giovanni Bussi <giovanni.bussi@gmail.com> Date: Mon, 12 Feb 2018 18:22:19 +0100 Subject: [PATCH] Regtest This tests for 31adcd34384f4f5c8d65d1f56aee383a6d359d07 --- regtest/basic/rt-make-exceptions/main.cpp | 4 ++++ regtest/basic/rt-make-exceptions/output.reference | 4 ++++ 2 files changed, 8 insertions(+) diff --git a/regtest/basic/rt-make-exceptions/main.cpp b/regtest/basic/rt-make-exceptions/main.cpp index 928bba2d6..7f1120781 100644 --- a/regtest/basic/rt-make-exceptions/main.cpp +++ b/regtest/basic/rt-make-exceptions/main.cpp @@ -96,6 +96,10 @@ int main(){ plumed.cmd("readInputLine","t: TORSION ATOMS=1,2,3,4"); plumed.cmd("readInputLine","RESTRAINT ARG=d AT=0 KAPPA=1"); +// check regexp not surrounded by parentheses (bug in 2.3.3). + test_line(ofs,plumed,"RESTRAINT ARG=x(d) KAPPA=5 AT=0"); + test_line(ofs,plumed,"RESTRAINT ARG=(d)x KAPPA=5 AT=0"); + test_line(ofs,plumed,"EXTERNAL ARG=d FILE=potential LABEL=ext"); test_line(ofs,plumed,"METAD ARG=d PACE=1 SIGMA=1 HEIGHT=0 FILE=H1 RESTART=WHAT"); test_line(ofs,plumed,"METAD ARG=d PACE=1 SIGMA=1 TAU=5"); diff --git a/regtest/basic/rt-make-exceptions/output.reference b/regtest/basic/rt-make-exceptions/output.reference index c560e82fa..8d66cb212 100644 --- a/regtest/basic/rt-make-exceptions/output.reference +++ b/regtest/basic/rt-make-exceptions/output.reference @@ -42,6 +42,10 @@ readInputLine d: RMSD REFERENCE=test-too-many-atoms.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 ++++ catched +readInputLine RESTRAINT ARG=(d)x KAPPA=5 AT=0 ++++ catched readInputLine EXTERNAL ARG=d FILE=potential LABEL=ext +++ catched readInputLine METAD ARG=d PACE=1 SIGMA=1 HEIGHT=0 FILE=H1 RESTART=WHAT -- GitLab