From 00982e032051b5a0b22ce1eafaa885affe85c9e4 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Fri, 2 Dec 2011 17:27:57 +0100
Subject: [PATCH] File opening tools moved to PlumedMain
I moved the tools to open a file with a specific prefix to PlumedMain.
This allows easily to use them also to open the input file, which in
turn means that we will be able to do bias-exchange and Hamiltonian
replica exchange
---
src/Action.cpp | 10 ++--------
src/PlumedMain.cpp | 18 ++++++++++++++++++
src/PlumedMain.h | 3 +++
3 files changed, 23 insertions(+), 8 deletions(-)
diff --git a/src/Action.cpp b/src/Action.cpp
index 31093e1d2..b3d82cd03 100644
--- a/src/Action.cpp
+++ b/src/Action.cpp
@@ -31,20 +31,14 @@ Action::Action(const ActionOptions&ao):
}
FILE* Action::fopen(const char *path, const char *mode){
- std::string mmode(mode);
- std::string ppath(path);
- std::string suffix(plumed.getSuffix());
- std::string ppathsuf=ppath+suffix;
- FILE*fp=std::fopen(const_cast<char*>(ppathsuf.c_str()),const_cast<char*>(mmode.c_str()));
- if(!fp) std::fopen(const_cast<char*>(ppath.c_str()),const_cast<char*>(mmode.c_str()));
- assert(fp);
+ FILE* fp=plumed.fopen(path,mode);
files.insert(fp);
return fp;
}
int Action::fclose(FILE*fp){
files.erase(fp);
- return std::fclose(fp);
+ return plumed.fclose(fp);
}
void Action::fflush(){
diff --git a/src/PlumedMain.cpp b/src/PlumedMain.cpp
index af23e340c..2fa4350c1 100644
--- a/src/PlumedMain.cpp
+++ b/src/PlumedMain.cpp
@@ -300,6 +300,7 @@ void PlumedMain::init(){
log.printf("Precision of reals: %d\n",atoms.getRealPrecision());
log.printf("Running over %d %s\n",comm.Get_size(),(comm.Get_size()>1?"nodes":"node"));
log.printf("Number of atoms: %d\n",atoms.getNatoms());
+ log.printf("File suffix: %s\n",getSuffix().c_str());
if(plumedDat.length()>0){
readInputFile(plumedDat);
plumedDat="";
@@ -500,6 +501,23 @@ void PlumedMain::load(std::vector<std::string> & words){
double PlumedMain::getBias() const{
return bias;
}
+
+FILE* PlumedMain::fopen(const char *path, const char *mode){
+ std::string mmode(mode);
+ std::string ppath(path);
+ std::string suffix(getSuffix());
+ std::string ppathsuf=ppath+suffix;
+ FILE*fp=std::fopen(const_cast<char*>(ppathsuf.c_str()),const_cast<char*>(mmode.c_str()));
+ if(!fp) fp=std::fopen(const_cast<char*>(ppath.c_str()),const_cast<char*>(mmode.c_str()));
+ assert(fp);
+ return fp;
+}
+
+int PlumedMain::fclose(FILE*fp){
+ return std::fclose(fp);
+}
+
+
//////////////////////////////////////////////////////////////////////////////////////////////////////////////////
diff --git a/src/PlumedMain.h b/src/PlumedMain.h
index 1ab8c4919..f4e0ca823 100644
--- a/src/PlumedMain.h
+++ b/src/PlumedMain.h
@@ -5,6 +5,7 @@
#include "ActionSet.h"
#include "Atoms.h"
#include "PlumedCommunicator.h"
+#include <cstdio>
#include <string>
#include <vector>
@@ -136,6 +137,8 @@ public:
void setSuffix(const std::string&);
/// get the value of the bias
double getBias()const;
+ FILE* fopen(const char *path, const char *mode);
+ int fclose(FILE*fp);
};
/////
--
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