From 1bc0c0b0b5c6d041a1b80d815796e2a9e0e41894 Mon Sep 17 00:00:00 2001
From: Gareth Tribello <gareth.tribello@gmail.com>
Date: Fri, 16 Nov 2012 16:15:03 +0100
Subject: [PATCH] Renamed Volume class ActionVolume to make it clear that this
is not calculating a volume
---
src/{Volume.cpp => ActionVolume.cpp} | 6 +++---
src/{Volume.h => ActionVolume.h} | 12 ++++++------
src/VesselCVdens.cpp | 6 +++---
src/VolumeSubcell.cpp | 8 ++++----
4 files changed, 16 insertions(+), 16 deletions(-)
rename src/{Volume.cpp => ActionVolume.cpp} (89%)
rename src/{Volume.h => ActionVolume.h} (89%)
diff --git a/src/Volume.cpp b/src/ActionVolume.cpp
similarity index 89%
rename from src/Volume.cpp
rename to src/ActionVolume.cpp
index bef867870..1b78a7ba8 100644
--- a/src/Volume.cpp
+++ b/src/ActionVolume.cpp
@@ -19,16 +19,16 @@
You should have received a copy of the GNU Lesser General Public License
along with plumed. If not, see <http://www.gnu.org/licenses/>.
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
-#include "Volume.h"
+#include "ActionVolume.h"
namespace PLMD {
-void Volume::registerKeywords( Keywords& keys ){
+void ActionVolume::registerKeywords( Keywords& keys ){
Action::registerKeywords( keys );
ActionAtomistic::registerKeywords( keys );
}
-Volume::Volume(const ActionOptions&ao):
+ActionVolume::ActionVolume(const ActionOptions&ao):
Action(ao),
ActionAtomistic(ao)
{
diff --git a/src/Volume.h b/src/ActionVolume.h
similarity index 89%
rename from src/Volume.h
rename to src/ActionVolume.h
index abfcfab0d..065b9f442 100644
--- a/src/Volume.h
+++ b/src/ActionVolume.h
@@ -19,8 +19,8 @@
You should have received a copy of the GNU Lesser General Public License
along with plumed. If not, see <http://www.gnu.org/licenses/>.
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
-#ifndef __PLUMED_Volume_h
-#define __PLUMED_Volume_h
+#ifndef __PLUMED_ActionVolume_h
+#define __PLUMED_ActionVolume_h
#include "ActionAtomistic.h"
#include "HistogramBead.h"
@@ -34,7 +34,7 @@ box. You can use this to calculate the number of atoms inside that part or the a
coordination number inside that part of the cell.
*/
-class Volume :
+class ActionVolume :
public ActionAtomistic
{
friend class VesselCVDens;
@@ -45,18 +45,18 @@ protected:
double getSigma() const ;
public:
static void registerKeywords( Keywords& keys );
- Volume(const ActionOptions&);
+ ActionVolume(const ActionOptions&);
virtual void calculateNumberInside( const std::vector<Value>& cpos, HistogramBead& bead, Value& weight )=0;
void apply(){};
};
inline
-void Volume::setSigma( const double& sig ){
+void ActionVolume::setSigma( const double& sig ){
sigma=sig;
}
inline
-double Volume::getSigma() const {
+double ActionVolume::getSigma() const {
return sigma;
}
diff --git a/src/VesselCVdens.cpp b/src/VesselCVdens.cpp
index 63d27ad70..5bdbbf05e 100644
--- a/src/VesselCVdens.cpp
+++ b/src/VesselCVdens.cpp
@@ -23,7 +23,7 @@
#include "FunctionVessel.h"
#include "PlumedMain.h"
#include "ActionSet.h"
-#include "Volume.h"
+#include "ActionVolume.h"
#include "MultiColvar.h"
#include "HistogramBead.h"
@@ -90,7 +90,7 @@ class VesselCVDens : public NormedSumVessel {
private:
bool isDensity;
Value tmpval, tmpweight;
- Volume* myvol;
+ ActionVolume* myvol;
MultiColvar* mycolv;
std::vector<Value> catom_pos;
bool not_in;
@@ -125,7 +125,7 @@ not_in(false)
std::string name; bool found_element=Tools::parse(data,"VOLUME",name);
if(!found_element){ error("No volume element specified in ccall to REGION"); return; }
if( name.substr(0,1)=="!" ){ name=name.substr(1); not_in=true; }
- myvol = (mycolv->plumed).getActionSet().selectWithLabel<Volume*>(name);
+ myvol = (mycolv->plumed).getActionSet().selectWithLabel<ActionVolume*>(name);
if(!myvol){ error( "in REGION " + name + " is not a valid volume element"); return; }
mycolv->addDependency( myvol );
diff --git a/src/VolumeSubcell.cpp b/src/VolumeSubcell.cpp
index 7ff346a3b..443c38241 100644
--- a/src/VolumeSubcell.cpp
+++ b/src/VolumeSubcell.cpp
@@ -20,7 +20,7 @@
along with plumed. If not, see <http://www.gnu.org/licenses/>.
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
#include "ActionRegister.h"
-#include "Volume.h"
+#include "ActionVolume.h"
//+PLUMEDOC GENERIC SUBCELL
/*
@@ -41,7 +41,7 @@ COORDINATIONNUMBER SPECIES=1-100 R_0=1.0 REGION={SIGMA=0.1 VOLUME=r1}
namespace PLMD {
-class VolumeSubcell : public Volume {
+class VolumeSubcell : public ActionVolume {
private:
Tensor cellbox;
bool dox, doy, doz;
@@ -58,7 +58,7 @@ public:
PLUMED_REGISTER_ACTION(VolumeSubcell,"SUBCELL")
void VolumeSubcell::registerKeywords( Keywords& keys ){
- Volume::registerKeywords( keys );
+ ActionVolume::registerKeywords( keys );
keys.add("compulsory","XLOWER","0.0","the lower boundary in x of the subcell in fractional coordinates.");
keys.add("compulsory","XUPPER","1.0","the upper boundary in x of the subcell in fractional coordinates.");
keys.add("compulsory","YLOWER","0.0","the lower boundary in y of the subcell in fractional coordinates.");
@@ -69,7 +69,7 @@ void VolumeSubcell::registerKeywords( Keywords& keys ){
VolumeSubcell::VolumeSubcell(const ActionOptions& ao):
Action(ao),
-Volume(ao)
+ActionVolume(ao)
{
dox=true; parse("XLOWER",xlow); parse("XUPPER",xhigh);
--
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