void CorrelateMain::update()
{
if (bangLoad->getBang())
loadData();
if (bangEvaluate->getBang())
evaluate();
if (bangLoadCalibration->getBang())
{
calibration.load();
bangEvaluate->enabled = true;
}
if (bangSave3DScan->getBang())
saveScan();
if (bangSaveMap->getBang())
saveMap();
if (bangAddToImage->getBang())
addToImage();
if (bangSaveImage->getBang())
saveImage();
if (bangClearImage->getBang())
clearImage();
ofVec3f& lbf(scanSet.lbf);
ofVec3f& rtb(scanSet.rtb);
if (rtb.x < lbf.x)
rtb.x = lbf.x;
if (rtb.y < lbf.y)
rtb.y = lbf.y;
if (rtb.z < lbf.z)
rtb.z = lbf.z;
}
bool MS2ScanVector::ReadFT2File()
{
bool bReVal, flag_1stScan = true; //flag_1stScan true indicates pMS2Scan is empty
string sline;
istringstream input;
MS2Scan * pMS2Scan;
ifstream ft2_stream(sFT2Filename.c_str());
int tmp_charge;
double tmp_mz, tmp_intensity;
bReVal = ft2_stream.is_open();
if (bReVal)
{
while(!ft2_stream.eof())
{
sline.clear();
// string tmp_sline = sline;
getline(ft2_stream, sline);
// cout << sline <<"wyf"<<endl;
if (sline =="")
continue;
if ((sline.at(0) >= '0') && (sline.at(0) <= '9'))
{
TokenVector words(sline, " \t\n\r");
if (words.size() < 6)
// The judgement of MS scan resolution here will be overwritten,
// we still keep the related codes here for future possible usuage
{
pMS2Scan->isMS2HighRes = false;
pMS2Scan->viCharge.push_back(0);
}else
{
pMS2Scan->isMS2HighRes = true;
input.clear();
input.str(words[5]);
input>>tmp_charge;
input.clear();
pMS2Scan->viCharge.push_back(tmp_charge);
}
input.clear();
input.str(words[0]);
input>>tmp_mz;
input.clear();
pMS2Scan->vdMZ.push_back(tmp_mz);
input.str(words[1]);
input>>tmp_intensity;
input.clear();
pMS2Scan->vdIntensity.push_back(tmp_intensity);
}else if (sline.at(0) == 'S')
{
if (flag_1stScan)
flag_1stScan = false;
else
if (pMS2Scan->vdIntensity.empty())
delete pMS2Scan;
else
{
if (ProNovoConfig::getMassAccuracyFragmentIon() < 0.1)
pMS2Scan->isMS2HighRes = true;
else
pMS2Scan->isMS2HighRes = false;
saveScan(pMS2Scan);
}
pMS2Scan = new MS2Scan;
pMS2Scan->sFT2Filename = sFT2Filename;
TokenVector words(sline, " \r\t\n");
input.clear();
input.str(words[1]);
input >> pMS2Scan->iScanId;
input.clear();
input.str(words[3]);
input >> pMS2Scan->dParentMZ;
input.clear();
pMS2Scan->isMS1HighRes = isMS1HighRes(words[3]);
// in case no Z Line
pMS2Scan->iParentChargeState = 0;
pMS2Scan->dParentNeutralMass = 0;
}else if (sline.at(0) == 'Z')
