From 88763daec29c86112922b1ddc89801c6b77c2568 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Tue, 26 Mar 2013 10:00:38 +0000
Subject: [PATCH] Fixed a number of bugs that appear when the code is compiled
without -DNDEBUG
---
src/multicolvar/MultiColvar.h | 2 --
src/tools/DynamicList.h | 7 +++++++
src/vesselbase/ActionWithVessel.h | 4 ----
3 files changed, 7 insertions(+), 6 deletions(-)
diff --git a/src/multicolvar/MultiColvar.h b/src/multicolvar/MultiColvar.h
index 7f2e94449..a76f3b610 100644
--- a/src/multicolvar/MultiColvar.h
+++ b/src/multicolvar/MultiColvar.h
@@ -180,7 +180,6 @@ public:
inline
unsigned MultiColvar::getFirstDerivativeToMerge(){
imerge_deriv=0; imerge_natoms=atoms_with_derivatives.getNumberActive();
- plumed_dbg_assert( colvar_atoms[current].isActive( atoms_with_derivatives[imerge_deriv] ) );
return 3*getAtomIndex( atoms_with_derivatives[imerge_deriv] );
}
@@ -189,7 +188,6 @@ unsigned MultiColvar::getNextDerivativeToMerge( const unsigned& j){
imerge_deriv++;
if( imerge_deriv>=3*imerge_natoms ) return 3*getNumberOfAtoms() - 3*imerge_natoms + imerge_deriv;
unsigned imerge_atom=std::floor( imerge_deriv / 3 );
- plumed_dbg_assert( colvar_atoms[current].isActive( atoms_with_derivatives[imerge_atom] ) );
return 3*getAtomIndex( imerge_atom ) + imerge_deriv%3;
}
diff --git a/src/tools/DynamicList.h b/src/tools/DynamicList.h
index a31ddc406..bc4626f58 100644
--- a/src/tools/DynamicList.h
+++ b/src/tools/DynamicList.h
@@ -163,6 +163,8 @@ public:
unsigned fullSize() const;
/// Return the number of elements that are currently active
unsigned getNumberActive() const;
+/// Find out if a member is active
+ bool isActive(const unsigned& ) const;
/// Add something to the active list
void addIndexToList( const T & ii );
/// Make a particular element inactive
@@ -194,6 +196,11 @@ void DynamicList<T>::clear() {
onoff.resize(0); active.resize(0);
}
+template <typename T>
+bool DynamicList<T>::isActive( const unsigned& i ) const {
+ return (onoff[i]>0);
+}
+
template <typename T>
unsigned DynamicList<T>::fullSize() const {
return all.size();
diff --git a/src/vesselbase/ActionWithVessel.h b/src/vesselbase/ActionWithVessel.h
index 662a21d91..0cc19c55b 100644
--- a/src/vesselbase/ActionWithVessel.h
+++ b/src/vesselbase/ActionWithVessel.h
@@ -207,10 +207,6 @@ void ActionWithVessel::addElementDerivative( const unsigned& ider, const double&
inline
void ActionWithVessel::setElementDerivative( const unsigned& ider, const double& der ){
-#ifndef NDEBUG
- unsigned ndertmp=getNumberOfDerivatives();
- if( ider>=ndertmp && ider<2*ndertmp ) plumed_dbg_massert( weightHasDerivatives, "In " + getLabel() );
-#endif
plumed_dbg_assert( ider<derivatives.size() );
derivatives[ider] = der;
}
--
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