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Removed some unused code. Refs #6863.
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@wdzhou
wdzhou committed Jul 24, 2013
1 parent 684c0cd commit f69faf7
Showing 1 changed file with 5 additions and 92 deletions.
97 changes: 5 additions & 92 deletions Code/Mantid/Framework/CurveFitting/src/LeBailFit.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -54,13 +54,6 @@ namespace CurveFitting

const Rfactor badR(DBL_MAX, DBL_MAX);

#if 0
bool compDescending2(int a, int b)
{
return (a >= b);
}
#endif

DECLARE_ALGORITHM(LeBailFit)

//----------------------------------------------------------------------------------------------
Expand Down Expand Up @@ -364,55 +357,9 @@ namespace CurveFitting
parseBackgroundTableWorkspace(bkgdparamws, m_backgroundParameters);
}

#if 0
// 3. Create background function
auto background = API::FunctionFactory::Instance().createFunction(backgroundtype);
m_backgroundFunction = boost::dynamic_pointer_cast<BackgroundFunction>(background);

size_t order = bkgdorderparams.size();

m_backgroundFunction->setAttributeValue("n", int(order));
m_backgroundFunction->initialize();

for (size_t i = 0; i < order; ++i)
{
std::stringstream ss;
ss << "A" << i;
std::string parname = ss.str();
m_backgroundFunction->setParameter(parname, bkgdorderparams[i]);
}

g_log.information() << "Generated background function: " << m_backgroundFunction->asString() << "\n";

// 4. Calculate background function and set to output workspace
if (!m_outputWS)
{
throw runtime_error("Output workspace hasn't been created!");
}

FunctionDomain1DVector domainBkgd(m_dataWS->readX(m_wsIndex));
FunctionValues valuesBkgd(domainBkgd);
m_backgroundFunction->function(domainBkgd, valuesBkgd);

MantidVec& inpvec = m_outputWS->dataY(INPUTBKGDINDEX);
MantidVec& calvec = m_outputWS->dataY(CALBKGDINDEX);
MantidVec& purevec = m_outputWS->dataY(INPUTPUREPEAKINDEX);
const MantidVec& obsYvec = m_dataWS->readY(m_wsIndex);
size_t numpts = inpvec.size();
for (size_t i = 0; i < numpts; ++i)
{
inpvec[i] = valuesBkgd[i];
calvec[i] = valuesBkgd[i];
purevec[i] = obsYvec[i] - valuesBkgd[i];
}
#endif

return;
}




//=================================== Pattern Calculation & Minimizing =======================

//----------------------------------------------------------------------------------------------
Expand Down Expand Up @@ -454,10 +401,6 @@ namespace CurveFitting
m_outputWS->dataY(DATADIFFINDEX)[i] = m_outputWS->readY(OBSDATAINDEX)[i] - m_outputWS->readY(CALDATAINDEX)[i];
}

#if 0
transform(vecY.begin(), vecY.end(), vecBkgd.begin(), vecPurePeaks.begin(), ::minus<double>());
#endif

// Calcualte individual peaks
bool ploteachpeak = this->getProperty("PlotIndividualPeaks");
g_log.notice() << "Output individual peaks = " << ploteachpeak << ".\n";
Expand Down Expand Up @@ -514,14 +457,6 @@ namespace CurveFitting

// 2. Calculate diffraction pattern
Rfactor currR(DBL_MAX, DBL_MAX);
#if 0
calculateDiffractionPattern(m_dataWS, m_wsIndex, domain, values, m_funcParameters, true);
for (size_t i = 0; i < numpts; ++i)
{
valueVec[i] = values[i];
}
Rfactor currR = getRFactor(m_dataWS->readY(m_wsIndex), valueVec, m_dataWS->readE(m_wsIndex));
#else
m_backgroundFunction->function(domain, values);
vector<double> backgroundvalues(numpts);
for (size_t i = 0; i < numpts; ++i)
Expand All @@ -534,8 +469,6 @@ namespace CurveFitting
m_lebailFunction->setProfileParameterValues(parammap);
calculateDiffractionPatternMC(m_outputWS->readX(INPUTPUREPEAKINDEX), m_outputWS->readY(INPUTPUREPEAKINDEX),
false, true, backgroundvalues, valueVec, currR);
// calculateDiffractionPatternMC(m_outputWS, INPUTPUREPEAKINDEX, m_funcParameters, backgroundvalues, valueVec, currR);
#endif
Rfactor bestR = currR;
storeBackgroundParameters(m_bkgdParameterBest);
stringstream bufss;
Expand All @@ -553,14 +486,6 @@ namespace CurveFitting
// b) Propose new values and evalulate
proposeNewBackgroundValues();
Rfactor newR(DBL_MAX, DBL_MAX);
#if 0
calculateDiffractionPattern(m_dataWS, m_wsIndex, domain, values, m_funcParameters, true);
for (size_t i = 0; i < numpts; ++i)
{
valueVec[i] = values[i];
}
newR = getRFactor(m_dataWS->readY(m_wsIndex), valueVec, m_dataWS->readE(m_wsIndex));
#else
m_backgroundFunction->function(domain, values);
for (size_t i = 0; i < numpts; ++i)
{
Expand All @@ -571,7 +496,6 @@ namespace CurveFitting
m_lebailFunction->setProfileParameterValues(parammap);
calculateDiffractionPatternMC(m_outputWS->readX(INPUTPUREPEAKINDEX), m_outputWS->readY(INPUTPUREPEAKINDEX),
false, true, backgroundvalues, valueVec, newR);
#endif

g_log.information() << "[DBx800] New Rwp = " << newR.Rwp << ", Rp = " << newR.Rp << ".\n";

Expand Down Expand Up @@ -615,15 +539,6 @@ namespace CurveFitting
g_log.notice(bufss1.str());

Rfactor outputR(-DBL_MAX, -DBL_MAX);
#if 0
calculateDiffractionPattern(m_dataWS, m_wsIndex, domain, values, m_funcParameters, true);

for (size_t i = 0; i < numpts; ++i)
{
valueVec[i] = values[i];
}
Rfactor outputR = getRFactor(m_dataWS->readY(m_wsIndex), valueVec, m_dataWS->readE(m_wsIndex));
#else
m_backgroundFunction->function(domain, values);
for (size_t i = 0; i < numpts; ++i)
{
Expand All @@ -634,7 +549,6 @@ namespace CurveFitting
m_lebailFunction->setProfileParameterValues(parammap);
calculateDiffractionPatternMC(m_outputWS->readX(INPUTPUREPEAKINDEX), m_outputWS->readY(INPUTPUREPEAKINDEX),
false, true, backgroundvalues, valueVec, outputR);
#endif

g_log.notice() << "[DBx604] Best Rwp = " << bestR.Rwp << ", vs. recovered best Rwp = " << outputR.Rwp << ".\n";

Expand Down Expand Up @@ -2508,7 +2422,7 @@ namespace CurveFitting
for (size_t ipk = 0; ipk < m_lebailFunction->getNumberOfPeaks(); ++ipk)
{
throw runtime_error("Need to figure out how to deal with this part!");
#if 0
/* Below are original code for modifying from
ThermalNeutronBk2BkExpConvPVoigt_sptr thispeak = m_dspPeaks[ipk].second;
double height = thispeak->height();
if (height > m_minimumPeakHeight)
Expand All @@ -2534,7 +2448,7 @@ namespace CurveFitting
peakdensity[i] += 1.0;
}
}
#endif
*/
}

// FIXME : What is bk_prm2???
Expand Down Expand Up @@ -2583,7 +2497,8 @@ namespace CurveFitting
}

// 2. Fit
#if 0
throw runtime_error("Need to re-consider this method.");
/* Below is the original code to modifying from
Chebyshev_sptr bkgdfunc(new Chebyshev);
bkgdfunc->setAttributeValue("n", 6);
Expand Down Expand Up @@ -2619,9 +2534,7 @@ namespace CurveFitting
for (size_t i = 0; i < numpts; ++i)
background[i] = values[i];
#else
throw runtime_error("Need to re-consider this method.");
#endif
*/

return;
}
Expand Down

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