void GofRZ::processHistogram() {
int nPairs = getNPairs();
RealType volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume();
RealType pairDensity = nPairs / volume * 2.0;
for(unsigned int i = 0 ; i < histogram_.size(); ++i){
RealType rLower = i * deltaR_;
RealType rUpper = rLower + deltaR_;
RealType volSlice = NumericConstant::PI * deltaZ_ * (( rUpper * rUpper ) - ( rLower * rLower ));
RealType nIdeal = volSlice * pairDensity;
for (unsigned int j = 0; j < histogram_[i].size(); ++j){
avgGofr_[i][j] += histogram_[i][j] / nIdeal;
}
}
}
void GofR::processHistogram() {
int nPairs = getNPairs();
RealType volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume();
RealType pairDensity = nPairs /volume * 2.0;
RealType pairConstant = ( 4.0 * NumericConstant::PI * pairDensity ) / 3.0;
for(unsigned int i = 0 ; i < histogram_.size(); ++i){
RealType rLower = i * deltaR_;
RealType rUpper = rLower + deltaR_;
RealType volSlice = ( rUpper * rUpper * rUpper ) - ( rLower * rLower * rLower );
RealType nIdeal = volSlice * pairConstant;
avgGofr_[i] += histogram_[i] / nIdeal;
}
}
void GofRTheta::processHistogram() {
int nPairs = getNPairs();
RealType volume = info_->getSnapshotManager()->getCurrentSnapshot()->getVolume();
RealType pairDensity = nPairs /volume;
RealType pairConstant = ( 4.0 * NumericConstant::PI * pairDensity ) /
(3.0 * (double)nAngleBins_ );
for(unsigned int i = 0 ; i < histogram_.size(); ++i){
RealType rLower = i * deltaR_;
RealType rUpper = rLower + deltaR_;
RealType volSlice = ( rUpper * rUpper * rUpper ) -
( rLower * rLower * rLower );
RealType nIdeal = volSlice * pairConstant;
for (unsigned int j = 0; j < histogram_[i].size(); ++j){
avgGofr_[i][j] += histogram_[i][j] / nIdeal;
}
}
}
void TwoDGofR::processHistogram() {
int nPairs = getNPairs();
Mat3x3d hmat = info_->getSnapshotManager()->getCurrentSnapshot()->getHmat();
RealType volume = hmat(0,0) * hmat(1,1) * deltaZ_;
RealType pairDensity = nPairs /volume * 2.0;
RealType pairConstant = (NumericConstant::PI * pairDensity);
for(unsigned int i = 0 ; i < histogram_.size(); ++i){
RealType rLower = i * deltaR_;
RealType rUpper = rLower + deltaR_;
RealType volSlice = deltaZ_ * (( rUpper*rUpper ) - ( rLower*rLower ));
RealType nIdeal = volSlice * pairConstant;
avgTwoDGofR_[i] += histogram_[i] / nIdeal;
}
}
//===========================================================================//
void ATM_Instance::readInstance(string & fileNameA,
string & fileNameD,
string & fileNameAD){
string atm, date;
int a, d, ad, n_ad;
double K, B;
ifstream isA, isD, isAD;
ifstream isA2, isD2; //MSVS bug?
char dummy[10000];
const int maxLine = 10000;
//---
//--- File format (.../Decomp/data/ATM)
//---
//--- dataA.txt:
//--- a K[a]
//--- dataD.txt:
//--- d B[d]
//--- dataAD.txt:
//--- a d a[a,d] b[a,d] c[a,d] d[a,d] e[a,d]
//---
//---
//--- open file streams
//---
UtilOpenFile(isA, fileNameA.c_str());
UtilOpenFile(isD, fileNameD.c_str());
UtilOpenFile(isAD, fileNameAD.c_str());
//---
//--- get number of atms
//---
printf("Reading %s\n", fileNameA.c_str());
m_nAtms = 0;
isA.getline(dummy, maxLine);
while(!isA.eof()){
isA >> atm;
if(isA.eof())
break;
isA >> K;
m_nAtms++;
}
isA.close();
//---
//--- get number of dates
//---
printf("Reading %s\n", fileNameD.c_str());
m_nDates = 0;
isD.getline(dummy, maxLine);
while(!isD.eof()){
isD >> date;
if(isD.eof())
break;
isD >> B;
m_nDates++;
}
isD.close();
//---
//--- allocate memory for storage of coefficients
//--- open enough space as if dense
//---
n_ad = m_nAtms * m_nDates;
m_a_ad = new double[n_ad];
m_b_ad = new double[n_ad];
m_c_ad = new double[n_ad]; //(=-b)
m_d_ad = new double[n_ad];
m_e_ad = new double[n_ad];
m_w_ad = new double[n_ad];
m_B_d = new double[m_nDates];
m_K_a = new double[m_nAtms];
assert(m_a_ad &&
m_b_ad &&
m_c_ad &&
m_d_ad &&
m_e_ad &&
m_w_ad &&
m_B_d &&
m_K_a);
//---
//--- get data for atms
//---
UtilOpenFile(isA2, fileNameA.c_str());
UtilOpenFile(isD2, fileNameD.c_str());
m_nAtms = 0;
isA2.getline(dummy, maxLine);
while(!isA2.eof()){
isA2 >> atm;
if(isA2.eof())
break;
m_strToIntAtms.insert(make_pair(atm, m_nAtms));
m_intToStrAtms.push_back(atm);
isA2 >> m_K_a[m_nAtms];
m_nAtms++;
}
isA2.close();
//---
//--- get data for dates
//---
m_nDates = 0;
isD2.getline(dummy, maxLine);
while(!isD2.eof()){
isD2 >> date;
if(isD2.eof())
break;
m_strToIntDates.insert(make_pair(date, m_nDates));
m_intToStrDates.push_back(date);
isD2 >> m_B_d[m_nDates];
m_nDates++;
}
isD2.close();
//---
//--- get data for ATMS x DATES (we don't have data for all pairs)
//---
printf("Reading %s\n", fileNameAD.c_str());
map<string,int>::iterator mi;
isAD.getline(dummy, maxLine);
while(!isAD.eof()){
isAD >> atm >> date;
if(isAD.eof())
break;
//get a,d index for this pair
mi = m_strToIntAtms.find(atm);
if(mi == m_strToIntAtms.end()){
printf("ERROR atm not found: %s\n", atm.c_str());
}
assert(mi != m_strToIntAtms.end());
a = mi->second;
mi = m_strToIntDates.find(date);
if(mi == m_strToIntDates.end()){
printf("ERROR dates not found: %s\n", date.c_str());
}
assert(mi != m_strToIntDates.end());
d = mi->second;
ad = getIndexAD(a,d);
m_pairsAD.push_back(ad);
isAD >> m_a_ad[ad];
isAD >> m_b_ad[ad];
isAD >> m_c_ad[ad];
isAD >> m_d_ad[ad];
isAD >> m_e_ad[ad];
isAD >> m_w_ad[ad];
//printf("ad=%d atm=%s date=%s a=%g b=%g c=%g d=%g e=%g w=%g\n",
// ad, atm.c_str(), date.c_str(),
// m_a_ad[ad],
// m_b_ad[ad],
// m_c_ad[ad],
// m_d_ad[ad],
// m_e_ad[ad],
// m_w_ad[ad]);
}
isAD.close();
printf("Number of ATMS = %d\n", getNAtms());
printf("Number of Dates = %d\n", getNDates());
printf("Number of Pairs = %d\n", getNPairs());
}
