added regression test

plumed · Jan 22, 2024 · 1b69844 · 1b69844
1 parent 3b402de
commit 1b69844
Show file tree

Hide file tree

Showing 2 changed files with 10 additions and 0 deletions.
diff --git a/regtest/basic/rt-make-exceptions/main.cpp b/regtest/basic/rt-make-exceptions/main.cpp
@@ -108,6 +108,12 @@ int main(){
 // check error in regular expression
   test_line(ofs,plumed,"RESTRAINT ARG=([a) KAPPA=5 AT=0");
 
+// cannot use simultaneously x2 and x
+  test_line(ofs,plumed,"COORDINATION GROUPA=1 GROUPB=2 SWITCH={CUSTOM FUNC=x2+x R_0=1.0}");
+
+// cannot use variables other than x2 or x
+  test_line(ofs,plumed,"COORDINATION GROUPA=1 GROUPB=2 SWITCH={CUSTOM FUNC=c R_0=1.0}");
+
   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
@@ -48,6 +48,10 @@ readInputLine RESTRAINT ARG=(d)x KAPPA=5 AT=0
 +++ catched
 readInputLine RESTRAINT ARG=([a) KAPPA=5 AT=0
 +++ catched
+readInputLine COORDINATION GROUPA=1 GROUPB=2 SWITCH={CUSTOM FUNC=x2+x R_0=1.0}
++++ catched
+readInputLine COORDINATION GROUPA=1 GROUPB=2 SWITCH={CUSTOM FUNC=c R_0=1.0}
++++ catched
 readInputLine EXTERNAL ARG=d FILE=potential LABEL=ext
 +++ catched
 readInputLine METAD ARG=d PACE=1 SIGMA=1 HEIGHT=0 FILE=H1 RESTART=WHAT