From 009dea9742bc7a8019d01b7be05619bad7c67a6b Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Sat, 30 Jul 2016 20:34:35 +0100
Subject: [PATCH] Made one of the error messages in FuncPathMSD better
---
src/function/FuncPathMSD.cpp | 7 ++++---
1 file changed, 4 insertions(+), 3 deletions(-)
diff --git a/src/function/FuncPathMSD.cpp b/src/function/FuncPathMSD.cpp
index 193fb149c..112cc4659 100644
--- a/src/function/FuncPathMSD.cpp
+++ b/src/function/FuncPathMSD.cpp
@@ -173,10 +173,11 @@ neigh_stride(-1.)
checkRead();
log.printf(" lambda is %f\n",lambda);
// list the action involved and check the type
- for(unsigned i=0;i<getNumberOfArguments();i++){
+ std::string myname=getPntrToArgument(0)->getPntrToAction()->getName();
+ if(myname!="RMSD"&&myname!="CONTACTMAP"&&myname!="DISTANCE") error("One or more of your arguments is not of RMSD/CONTACTMAP/DISTANCE type!!!");
+ for(unsigned i=1;i<getNumberOfArguments();i++){
// for each value get the name and the label of the corresponding action
- std::string myname=getPntrToArgument(i)->getPntrToAction()->getName();
- if(myname!="RMSD"&&myname!="CONTACTMAP")plumed_merror("This argument is not of RMSD type!!!");
+ if( getPntrToArgument(i)->getPntrToAction()->getName()!=myname ) error("mismatch between the types of arguments");
}
log.printf(" Consistency check completed! Your path cvs look good!\n");
// do some neighbor printout
--
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