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Commit 91fbcb70 authored by Giovanni Bussi's avatar Giovanni Bussi
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CHECK_NULL -> CHECK_NOTNULL 

Since the pointer should be not null, the new name makes more sense
parent a074950d
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src/core/GREX.cpp
+ 7
− 7
View file @ 91fbcb70
......@@ -52,12 +52,12 @@ GREX::~GREX(){
#define CHECK_INIT(ini,word) plumed_massert(ini,"cmd(\"" + word +"\") should be only used after GREX initialization")
#define CHECK_NOTINIT(ini,word) plumed_massert(!(ini),"cmd(\"" + word +"\") should be only used before GREX initialization")
#define CHECK_NULL(val,word) plumed_massert(val,"NULL pointer received in cmd(\"GREX " + word + "\")");
#define CHECK_NOTNULL(val,word) plumed_massert(val,"NULL pointer received in cmd(\"GREX " + word + "\")");
void GREX::cmd(const string&key,void*val){
if(false){
}else if(key=="initialized"){
CHECK_NULL(val,key);
CHECK_NOTNULL(val,key);
*static_cast<int*>(val)=initialized;
}else if(key=="setMPIIntracomm"){
CHECK_NOTINIT(initialized,key);
......@@ -100,26 +100,26 @@ void GREX::cmd(const string&key,void*val){
calculate();
}else if(key=="getLocalDeltaBias"){
CHECK_INIT(initialized,key);
CHECK_NULL(val,key);
CHECK_NOTNULL(val,key);
double x=localDeltaBias/(atoms.getMDUnits().getEnergy()/atoms.getUnits().getEnergy());
atoms.double2MD(x,val);
}else if(key=="cacheLocalUNow"){
CHECK_INIT(initialized,key);
CHECK_NULL(val,key);
CHECK_NOTNULL(val,key);
double x;
atoms.MD2double(val,x);
localUNow=x*(atoms.getMDUnits().getEnergy()/atoms.getUnits().getEnergy());
intracomm.Sum(localUNow);
}else if(key=="cacheLocalUSwap"){
CHECK_INIT(initialized,key);
CHECK_NULL(val,key);
CHECK_NOTNULL(val,key);
double x;
atoms.MD2double(val,x);
localUSwap=x*(atoms.getMDUnits().getEnergy()/atoms.getUnits().getEnergy());
intracomm.Sum(localUSwap);
}else if(key=="getForeignDeltaBias"){
CHECK_INIT(initialized,key);
CHECK_NULL(val,key);
CHECK_NOTNULL(val,key);
double x=foreignDeltaBias/(atoms.getMDUnits().getEnergy()/atoms.getUnits().getEnergy());
atoms.double2MD(x,val);
}else if(key=="shareAllDeltaBias"){
......@@ -135,7 +135,7 @@ void GREX::cmd(const string&key,void*val){
if(false){
} else if(nw==2 && words[0]=="getDeltaBias"){
CHECK_INIT(initialized,key);
CHECK_NULL(val,key);
CHECK_NOTNULL(val,key);
plumed_massert(allDeltaBias.size()==static_cast<unsigned>(intercomm.Get_size()),
"to retrieve bias with cmd(\"GREX getDeltaBias\"), first share it with cmd(\"GREX shareAllDeltaBias\")");
unsigned rep;
......
src/core/PlumedMain.cpp
+ 32
− 32
View file @ 91fbcb70
......@@ -113,7 +113,7 @@ PlumedMain::~PlumedMain(){
#define CHECK_INIT(ini,word) plumed_massert(ini,"cmd(\"" + word +"\") should be only used after plumed initialization")
#define CHECK_NOTINIT(ini,word) plumed_massert(!(ini),"cmd(\"" + word +"\") should be only used before plumed initialization")
#define CHECK_NULL(val,word) plumed_massert(val,"NULL pointer received in cmd(\"" + word + "\")");
#define CHECK_NOTNULL(val,word) plumed_massert(val,"NULL pointer received in cmd(\"" + word + "\")");
void PlumedMain::cmd(const std::string & word,void*val){
......@@ -129,7 +129,7 @@ void PlumedMain::cmd(const std::string & word,void*val){
double d;
case cmd_setBox:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.setBox(val);
break;
case cmd_setPositions:
......@@ -158,12 +158,12 @@ void PlumedMain::cmd(const std::string & word,void*val){
break;
case cmd_setVirial:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.setVirial(val);
break;
case cmd_setEnergy:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.setEnergy(val);
break;
case cmd_setForces:
......@@ -212,20 +212,20 @@ void PlumedMain::cmd(const std::string & word,void*val){
break;
case cmd_setStep:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
step=(*static_cast<int*>(val));
atoms.startStep();
break;
case cmd_setStepLong:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
step=(*static_cast<long int*>(val));
atoms.startStep();
break;
// words used less frequently:
case cmd_setAtomsNlocal:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.setAtomsNlocal(*static_cast<int*>(val));
break;
case cmd_setAtomsGatindex:
......@@ -238,17 +238,17 @@ void PlumedMain::cmd(const std::string & word,void*val){
break;
case cmd_setAtomsContiguous:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.setAtomsContiguous(*static_cast<int*>(val));
break;
case cmd_createFullList:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.createFullList(static_cast<int*>(val));
break;
case cmd_getFullList:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.getFullList(static_cast<int**>(val));
break;
case cmd_clearFullList:
......@@ -262,7 +262,7 @@ void PlumedMain::cmd(const std::string & word,void*val){
break;
case cmd_readInputLine:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
readInputLine(static_cast<char*>(val));
break;
case cmd_clear:
......@@ -270,7 +270,7 @@ void PlumedMain::cmd(const std::string & word,void*val){
actionSet.clearDelete();
break;
case cmd_getApiVersion:
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
*(static_cast<int*>(val))=4;
break;
// commands which can be used only before initialization:
......@@ -280,36 +280,36 @@ void PlumedMain::cmd(const std::string & word,void*val){
break;
case cmd_setRealPrecision:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.setRealPrecision(*static_cast<int*>(val));
break;
case cmd_setMDLengthUnits:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.MD2double(val,d);
atoms.setMDLengthUnits(d);
break;
case cmd_setMDChargeUnits:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.MD2double(val,d);
atoms.setMDChargeUnits(d);
break;
case cmd_setMDMassUnits:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.MD2double(val,d);
atoms.setMDMassUnits(d);
break;
case cmd_setMDEnergyUnits:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.MD2double(val,d);
atoms.setMDEnergyUnits(d);
break;
case cmd_setMDTimeUnits:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.MD2double(val,d);
atoms.setMDTimeUnits(d);
break;
......@@ -326,7 +326,7 @@ void PlumedMain::cmd(const std::string & word,void*val){
break;
case cmd_setPlumedDat:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
plumedDat=static_cast<char*>(val);
break;
case cmd_setMPIComm:
......@@ -345,29 +345,29 @@ void PlumedMain::cmd(const std::string & word,void*val){
break;
case cmd_setNatoms:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.setNatoms(*static_cast<int*>(val));
break;
case cmd_setTimestep:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.setTimeStep(val);
break;
/* ADDED WITH API==2 */
case cmd_setKbT:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
atoms.setKbT(val);
break;
/* ADDED WITH API==3 */
case cmd_setRestart:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
if(*static_cast<int*>(val)!=0) restart=true;
break;
case cmd_setMDEngine:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
MDEngine=static_cast<char*>(val);
break;
case cmd_setLog:
......@@ -376,33 +376,33 @@ void PlumedMain::cmd(const std::string & word,void*val){
break;
case cmd_setLogFile:
CHECK_NOTINIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
log.open(static_cast<char*>(val));
break;
// other commands that should be used after initialization:
case cmd_setStopFlag:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
stopFlag=static_cast<int*>(val);
break;
case cmd_getExchangesFlag:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
exchangePatterns.getFlag((*static_cast<int*>(val)));
break;
case cmd_setExchangesSeed:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
exchangePatterns.setSeed((*static_cast<int*>(val)));
break;
case cmd_setNumberOfReplicas:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
exchangePatterns.setNofR((*static_cast<int*>(val)));
break;
case cmd_getExchangesList:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
exchangePatterns.getList((static_cast<int*>(val)));
break;
case cmd_runFinalJobs:
......@@ -411,13 +411,13 @@ void PlumedMain::cmd(const std::string & word,void*val){
break;
case cmd_isEnergyNeeded:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
if(atoms.isEnergyNeeded()) *(static_cast<int*>(val))=1;
else *(static_cast<int*>(val))=0;
break;
case cmd_getBias:
CHECK_INIT(initialized,word);
CHECK_NULL(val,word);
CHECK_NOTNULL(val,word);
d=getBias()/(atoms.getMDUnits().getEnergy()/atoms.getUnits().getEnergy());
atoms.double2MD(d,val);
break;
......
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