diff --git a/Code/Mantid/Framework/API/src/IPowderDiffPeakFunction.cpp b/Code/Mantid/Framework/API/src/IPowderDiffPeakFunction.cpp
index 49452fe7a7fcc546e3cbd380a8fa7ea0646c2156..f6de38ca92c67b4fe876c110d9741c2884a22f5a 100644
--- a/Code/Mantid/Framework/API/src/IPowderDiffPeakFunction.cpp
+++ b/Code/Mantid/Framework/API/src/IPowderDiffPeakFunction.cpp
@@ -329,8 +329,6 @@ namespace API
*/
std::complex<double> E1(std::complex<double> z)
{
- const double el = 0.5772156649015328;
-
std::complex<double> exp_e1;
double rz = real(z);
@@ -363,8 +361,8 @@ namespace API
}
} // ENDFOR k
- // cout << "[DB] el = " << el << ", exp_e1 = " << exp_e1 << endl;
+ const double el = 0.5772156649015328;
exp_e1 = -el - log(z) + (z*exp_e1);
}
else
@@ -386,7 +384,6 @@ namespace API
}
}
- // cout << "[DB] Final exp_e1 = " << exp_e1 << "\n";
return exp_e1;
}
diff --git a/Code/Mantid/Framework/Algorithms/src/CreateWorkspace.cpp b/Code/Mantid/Framework/Algorithms/src/CreateWorkspace.cpp
index f503cfc90241a4b0cd3de687c44e8ccc44a39313..3af5e8c9a522cd4a3271a121a6b0d7a815b1fcf1 100644
--- a/Code/Mantid/Framework/Algorithms/src/CreateWorkspace.cpp
+++ b/Code/Mantid/Framework/Algorithms/src/CreateWorkspace.cpp
@@ -105,7 +105,6 @@ void CreateWorkspace::exec()
const std::string xUnit = getProperty("UnitX");
const std::string vUnit = getProperty("VerticalAxisUnit");
const std::vector<std::string> vAxis = getProperty("VerticalAxisValues");
- std::string parentWorkspace = getPropertyValue("ParentWorkspace");
if ( ( vUnit != "SpectraNumber" ) && ( static_cast<int>(vAxis.size()) != nSpec ) )
{
diff --git a/Code/Mantid/Framework/Algorithms/src/FitPeak.cpp b/Code/Mantid/Framework/Algorithms/src/FitPeak.cpp
index 79ad8e709e1cf923059cf676e958a0d6923514e8..f5bec47d6cafa185f1bf9dfd6ac332ad889f3ba7 100644
--- a/Code/Mantid/Framework/Algorithms/src/FitPeak.cpp
+++ b/Code/Mantid/Framework/Algorithms/src/FitPeak.cpp
@@ -608,7 +608,6 @@ namespace Algorithms
map<string, double> errormap;
push(bkgdfunc, m_bkupBkgdFunc, errormap);
- std::vector<double> vec_bkgd;
vector<double> vec_xmin(2);
vector<double> vec_xmax(2);
vec_xmin[0] = m_minFitX;
@@ -761,6 +760,7 @@ namespace Algorithms
push(m_bkgdFunc, m_bestBkgdFunc, m_fitErrorBkgdFunc);
m_bestRwp = rwp;
}
+ g_log.debug()<<"Failed due to: " << failreason <<std::endl;
return;
}
@@ -947,12 +947,10 @@ namespace Algorithms
{
// Fit for composite function renders a better result
goodness_final = goodness;
- errorreason = "";
}
else if (goodness_init <= goodness && goodness_init < DBL_MAX)
{
goodness_final = goodness_init;
- errorreason = "";
g_log.information("Fit peak/background composite function FAILS to render a better solution.");
pop(bkuppeakmap, peakfunc);
pop(bkupbkgdmap, bkgdfunc);
diff --git a/Code/Mantid/Framework/Algorithms/src/RingProfile.cpp b/Code/Mantid/Framework/Algorithms/src/RingProfile.cpp
index 94af655e6b8c489731865785b5d4ac0763ea58e7..c13491f9b80e0b0a69474dd15110d876f5f687b2 100644
--- a/Code/Mantid/Framework/Algorithms/src/RingProfile.cpp
+++ b/Code/Mantid/Framework/Algorithms/src/RingProfile.cpp
@@ -564,18 +564,13 @@ void RingProfile::getBinForPixel(const API::MatrixWorkspace_sptr ws,
// the reference to X bins (the limits for each pixel in the horizontal direction)
auto xvec = ws->dataX(spectrum_index);
- double xpos;
- double diffx;
- double distance;
- double angle;
-
// for each pixel inside this row
for (size_t i = 0; i< xvec.size()-1; i++){
- xpos = (xvec[i] + xvec[i+1])/2.0; // the x position is the centre of the bins boundaries
- diffx = xpos - centre_x;
+ double xpos = (xvec[i] + xvec[i+1])/2.0; // the x position is the centre of the bins boundaries
+ double diffx = xpos - centre_x;
// calculate the distance => norm of pixel position - centre
- distance = sqrt(pow(diffx, 2.0) + diffy_quad);
+ double distance = sqrt(pow(diffx, 2.0) + diffy_quad);
// check if the distance is inside the ring
if (distance < min_radius || distance > max_radius || distance == 0){
@@ -583,7 +578,7 @@ void RingProfile::getBinForPixel(const API::MatrixWorkspace_sptr ws,
continue;
}
- angle = atan2(diffy, diffx);
+ double angle = atan2(diffy, diffx);
// call fromAngleToBin (radians)
bins_pos[i] = fromAngleToBin(angle, false);
diff --git a/Code/Mantid/Framework/Crystal/src/SaveHKL.cpp b/Code/Mantid/Framework/Crystal/src/SaveHKL.cpp
index a1a880f77c931b0f4c0f8ff720ff297d315acabe..38da9c1d5ca92f7335a4ff65d7f8baeced6ab5bf 100644
--- a/Code/Mantid/Framework/Crystal/src/SaveHKL.cpp
+++ b/Code/Mantid/Framework/Crystal/src/SaveHKL.cpp
@@ -252,13 +252,13 @@ namespace Crystal
for (int wi=0; wi < 8; wi++)getline(infile,STRING); // Saves the line in STRING.
while(!infile.eof()) // To get you all the lines.
{
- double time0, spectra0;
time.resize(a+1);
spectra.resize(a+1);
getline(infile,STRING); // Saves the line in STRING.
std::stringstream ss(STRING);
if(STRING.find("Bank") == std::string::npos)
- {
+ {
+ double time0, spectra0;
ss >> time0 >> spectra0;
time[a].push_back(time0);
spectra[a].push_back(spectra0);
diff --git a/Code/Mantid/Framework/CurveFitting/src/ProcessBackground.cpp b/Code/Mantid/Framework/CurveFitting/src/ProcessBackground.cpp
index 4c7331628f0de88874bb531517f09bc85794ab08..eb778d2460b4417c5cc15eb38309e65e5a01151e 100644
--- a/Code/Mantid/Framework/CurveFitting/src/ProcessBackground.cpp
+++ b/Code/Mantid/Framework/CurveFitting/src/ProcessBackground.cpp
@@ -318,11 +318,11 @@ DECLARE_ALGORITHM(ProcessBackground)
size_t numrows = peaktablews->rowCount();
vec_peakcentre.resize(numrows, 0.);
vec_peakfwhm.resize(numrows, 0.);
- double centre, fwhm;
+
for (size_t i = 0; i < numrows; ++i)
{
- centre = peaktablews->cell<double>(i, index_centre);
- fwhm = peaktablews->cell<double>(i, index_fwhm);
+ double centre = peaktablews->cell<double>(i, index_centre);
+ double fwhm = peaktablews->cell<double>(i, index_fwhm);
vec_peakcentre[i] = centre;
vec_peakfwhm[i] = fwhm;
}
@@ -973,11 +973,11 @@ DECLARE_ALGORITHM(ProcessBackground)
size_t numrows = peaktablews->rowCount();
vec_peakcentre.resize(numrows, 0.);
vec_peakfwhm.resize(numrows, 0.);
- double centre, fwhm;
+
for (size_t i = 0; i < numrows; ++i)
{
- centre = peaktablews->cell<double>(i, index_centre);
- fwhm = peaktablews->cell<double>(i, index_fwhm);
+ double centre = peaktablews->cell<double>(i, index_centre);
+ double fwhm = peaktablews->cell<double>(i, index_fwhm);
vec_peakcentre[i] = centre;
vec_peakfwhm[i] = fwhm;
}
diff --git a/Code/Mantid/Framework/CurveFitting/src/ReflectivityMulf.cpp b/Code/Mantid/Framework/CurveFitting/src/ReflectivityMulf.cpp
index b418c22fedab0c40e8719df07c0a23b7d91a3fa8..cdbf561c471b45955638a32254f269c6cba1be7e 100644
--- a/Code/Mantid/Framework/CurveFitting/src/ReflectivityMulf.cpp
+++ b/Code/Mantid/Framework/CurveFitting/src/ReflectivityMulf.cpp
@@ -62,13 +62,10 @@ namespace CurveFitting
}
// 2. Calculate
- double lambda,theta0,dthet,dthetr,dt,bgd,scalefac,pthet;
- double tl,tlc,con;
std::vector<double> dn(m_nlayer+2);
std::vector<double> rnbn(m_nlayer+2);
std::vector<double> zbb(m_nlayer+2);
int nit=21;
- int i;
std::vector<double> cy(nData);
std::complex<double> c0(0.0, 0.0);
@@ -103,29 +100,21 @@ namespace CurveFitting
std::complex<double> a321(0.0,0.0);
std::complex<double> a322(0.0,0.0);
- theta0=coeff[0]*PI/180.0;
- scalefac=coeff[1];
+ double theta0=coeff[0]*PI/180.0;
+ double scalefac=coeff[1];
rnbn[0]=coeff[2];
rnbn[m_nlayer+1]=coeff[3];
zbb[0]=coeff[4]*coeff[4];
zbb[m_nlayer+1]=0.0;
- bgd=coeff[5];
- pthet=coeff[6];
-
-/* g_log.information() << "Theta0="<< theta0 << "\n";
- g_log.information() << "scalefac="<< scalefac << "\n";
- g_log.information() << "rnbn[0]="<< rnbn[0] << "\n";
- g_log.information() << "rnbn[m_nlayer+1]="<< rnbn[m_nlayer+1] << "\n";
- g_log.information() << "zbb[0]="<< zbb[0] << "\n";
- g_log.information() << "bgd="<< bgd << "\n";
- g_log.information() << "pthet="<< pthet << "\n";
-*/
+ double bgd=coeff[5];
+ double pthet=coeff[6];
+
dn[0]=0.0;
dn[m_nlayer+1]=0.0;
if(m_nlayer>0)
{
- for (i=0;i<m_nlayer;++i)
+ for (int i=0;i<m_nlayer;++i)
{
rnbn[i+1]=coeff[7+i*3];
dn[i+1]=coeff[8+i*3];
@@ -138,13 +127,13 @@ namespace CurveFitting
std::vector<double> xnit(nit1);
int ii,k;
- dthet=theta0*pthet/100.0;
+ double dthet=theta0*pthet/100.0;
dthet=dthet/2.35;
- dthetr=dthet*2.51;
+ double dthetr=dthet*2.51;
tmax=theta0+dthet*3;
tmin=theta0-dthet*3;
- dt=(tmax-tmin)/nit;
- for (i=0;i<nit1;i++)
+ double dt=(tmax-tmin)/nit;
+ for (int i=0;i<nit1;i++)
{
xnit[i]=tmin+dt*i;
}
@@ -153,11 +142,11 @@ namespace CurveFitting
for (size_t j = 0; j < nData; ++j)
{
- lambda=4*PI*sin(theta0)/xValues[j];
+ double lambda=4*PI*sin(theta0)/xValues[j];
cy[j]=0.0;
- tl=lambda*lambda;
- tlc=8.0*PI*PI/tl;
- con=tl/(2.0*PI);
+ double tl=lambda*lambda;
+ double tlc=8.0*PI*PI/tl;
+ double con=tl/(2.0*PI);
for (k=0; k<m_nlayer+2; k++)
{
@@ -171,7 +160,7 @@ namespace CurveFitting
st0=sin(x);
pfn[0]=rnfn[0]*st0;
- for (i=1;i<m_nlayer+1;i++)
+ for (int i=1;i<m_nlayer+1;i++)
{
rnf=(rnfn[i]*rnfn[i])*cr;
rnf1=(rnfn[0]*rnfn[0])*cr;
@@ -182,7 +171,7 @@ namespace CurveFitting
rnf1=(rnfn[0]*rnfn[0])*cr;
pfn[m_nlayer+1]=sqrt(rnf-(rnf1*ct0*ct0));
- for (i=1;i<m_nlayer+1;i++)
+ for (int i=1;i<m_nlayer+1;i++)
{
betan[i]=2.0*PI*dn[i]*pfn[i]/lambda;
}
@@ -199,7 +188,7 @@ namespace CurveFitting
a121=a112;
a122=cr;
- for (i=1;i<m_nlayer+1;i++)
+ for (int i=1;i<m_nlayer+1;i++)
{
btm=betan[i]*ci;
btm1=-1.0*betan[i]*ci;
diff --git a/Code/Mantid/Framework/DataHandling/src/LoadDetectorsGroupingFile.cpp b/Code/Mantid/Framework/DataHandling/src/LoadDetectorsGroupingFile.cpp
index d433cedda649999c85858fba17341765730a2214..b5a51bd81e0fd6dfdfdef90342c8de8515a4235b 100644
--- a/Code/Mantid/Framework/DataHandling/src/LoadDetectorsGroupingFile.cpp
+++ b/Code/Mantid/Framework/DataHandling/src/LoadDetectorsGroupingFile.cpp
@@ -787,8 +787,6 @@ namespace DataHandling
{
std::string line;
- int currentGroupNo = 1;
-
try
{
// We don't use the total number of groups report at the top of the file but we'll tell them
@@ -802,6 +800,7 @@ namespace DataHandling
throw std::invalid_argument("Expected a single int for the number of groups");
// Parse groups
+ int currentGroupNo = 1;
while(true)
{
// Read next line ("group spectrum no.") -> ignore the number itself
diff --git a/Code/Mantid/Framework/DataHandling/src/LoadLLB.cpp b/Code/Mantid/Framework/DataHandling/src/LoadLLB.cpp
index 8c2624fe649c293866fb3f7cc171fbb6884d8377..06b5a419fa3ff6b8fe91b251fa6a1adadea6f280 100644
--- a/Code/Mantid/Framework/DataHandling/src/LoadLLB.cpp
+++ b/Code/Mantid/Framework/DataHandling/src/LoadLLB.cpp
@@ -223,9 +223,6 @@ void LoadLLB::loadDataIntoTheWorkSpace(NeXus::NXEntry& entry) {
int LoadLLB::getDetectorElasticPeakPosition(const NeXus::NXFloat &data) {
- std::vector<int> listOfFoundEPP;
-
-
std::vector<int> cumulatedSumOfSpectras(m_numberOfChannels, 0);
for (size_t i = 0; i < m_numberOfTubes; i++)
{
diff --git a/Code/Mantid/Framework/DataHandling/src/LoadNexusMonitors.cpp b/Code/Mantid/Framework/DataHandling/src/LoadNexusMonitors.cpp
index 193a5c5100529bee68d1a3622ed0e8f376f12ebb..90fce7c24b1e21c77a8bad7efadebc94b8b53635 100644
--- a/Code/Mantid/Framework/DataHandling/src/LoadNexusMonitors.cpp
+++ b/Code/Mantid/Framework/DataHandling/src/LoadNexusMonitors.cpp
@@ -338,8 +338,7 @@ void LoadNexusMonitors::exec()
file.openData("name");
instrumentName = file.getStrData();
g_log.debug() << "Instrument name read from NeXus file is " << instrumentName << std::endl;
- if (instrumentName.compare("POWGEN3") == 0) // hack for powgen b/c of bad long name
- instrumentName = "POWGEN";
+
// Now let's close the file as we don't need it anymore to load the instrument.
file.closeData();
file.closeGroup(); // Close the NXentry
diff --git a/Code/Mantid/Framework/DataHandling/src/SaveCanSAS1D.cpp b/Code/Mantid/Framework/DataHandling/src/SaveCanSAS1D.cpp
index 41e763d283716f071b8b160082dabeead8866da8..17ceb4c2008c41234192047f9474fdd73da399f8 100644
--- a/Code/Mantid/Framework/DataHandling/src/SaveCanSAS1D.cpp
+++ b/Code/Mantid/Framework/DataHandling/src/SaveCanSAS1D.cpp
@@ -256,9 +256,7 @@ bool SaveCanSAS1D::openForAppending(const std::string & filename)
void SaveCanSAS1D::findEndofLastEntry()
{
static const int LAST_TAG_LEN = 11;
- static const char LAST_TAG[LAST_TAG_LEN+1] = "</SASentry>";
- // UNCERT should be less than the length of a SASentry
- static const int UNCERT = 20;
+
const int rootTagLen = static_cast<int>(std::string("</SASroot>").length());
try
@@ -268,10 +266,13 @@ void SaveCanSAS1D::findEndofLastEntry()
char test_tag[LAST_TAG_LEN+1];
m_outFile.read(test_tag, LAST_TAG_LEN);
//check we're in the correct place in the file
+ static const char LAST_TAG[LAST_TAG_LEN+1] = "</SASentry>";
if ( std::string(test_tag,LAST_TAG_LEN)!=std::string(LAST_TAG,LAST_TAG_LEN) )
{
//we'll allow some extra charaters so there is some variablity in where the tag might be found
- bool tagFound(false);
+ bool tagFound(false);
+ // UNCERT should be less than the length of a SASentry
+ static const int UNCERT = 20;
for ( int i = 1; i < UNCERT; ++i )
{
//together this seek and read move the file pointer back on byte at a time and read
diff --git a/Code/Mantid/Framework/DataHandling/src/SaveCanSAS1D2.cpp b/Code/Mantid/Framework/DataHandling/src/SaveCanSAS1D2.cpp
index 59783466547b285ec2e86385b933af0d30e7ba59..3dc7b0739040a03300ffaec0e298655fd2f4f118 100644
--- a/Code/Mantid/Framework/DataHandling/src/SaveCanSAS1D2.cpp
+++ b/Code/Mantid/Framework/DataHandling/src/SaveCanSAS1D2.cpp
@@ -231,15 +231,14 @@ void SaveCanSAS1D2::createSASTransElement(std::string& sasTrans, const std::stri
const MantidVec& ydata = m_ws->readY(0);
const MantidVec& edata = m_ws->readE(0);
const bool isHistogram = m_ws->isHistogramData();
- double lambda, trans_value, trans_err;
for (size_t j = 0; j < m_ws->blocksize(); ++j)
{
// x data is the Lambda in xml. If histogramdata take the mean
- lambda = isHistogram ? (xdata[j] + xdata[j+1])/2: xdata[j];
+ double lambda = isHistogram ? (xdata[j] + xdata[j+1])/2: xdata[j];
// y data is the T in xml.
- trans_value = ydata[j];
+ double trans_value = ydata[j];
// e data is the Tdev in xml.
- trans_err = edata[j];
+ double trans_err = edata[j];
trans << "\n\t\t\t<Tdata><Lambda unit=\""<<lambda_unit
<<"\">";
diff --git a/Code/Mantid/Framework/DataHandling/src/SaveGSS.cpp b/Code/Mantid/Framework/DataHandling/src/SaveGSS.cpp
index dfffb3b22febfc047ccbd89d8aa31d83e58ab508..7c6933c0e6230ffc9e96171cffaebda86fe61537 100644
--- a/Code/Mantid/Framework/DataHandling/src/SaveGSS.cpp
+++ b/Code/Mantid/Framework/DataHandling/src/SaveGSS.cpp
@@ -488,16 +488,14 @@ namespace Mantid
<< std::setprecision(0) << std::setw(10) << bc2 << std::fixed << " " << std::setprecision(7)
<< std::setw(10) << bc3 << std::fixed << " 0 FXYE" << std::endl;
- double delta, y, e;
-
for (size_t i = 0; i < datasize; i++)
{
- y = Y[i];
- e = E[i];
+ double y = Y[i];
+ double e = E[i];
if (MultiplyByBinWidth)
{
// Multiple by bin width as
- delta = X[i + 1] - X[i];
+ double delta = X[i + 1] - X[i];
y *= delta;
e *= delta;
}
diff --git a/Code/Mantid/Framework/DataHandling/src/SetSampleMaterial.cpp b/Code/Mantid/Framework/DataHandling/src/SetSampleMaterial.cpp
index 995862724004d868478e67f529a321def43976f9..8f842fca5193cd3a34ec82f4cd9708e798d2a8b0 100644
--- a/Code/Mantid/Framework/DataHandling/src/SetSampleMaterial.cpp
+++ b/Code/Mantid/Framework/DataHandling/src/SetSampleMaterial.cpp
@@ -6,30 +6,30 @@ If you decide to provide specific values you must give values for all three (att
If you miss any of the three specific values then the other will be ignored.
Neutron scattering lengths and cross sections of the elements and their isotopes have been taken from [http://www.ncnr.nist.gov/resources/n-lengths/list.html].
- *WIKI*/
+*WIKI*/
/*WIKI_USAGE*
=====Setting the sample by simple formula=====
- SetSampleMaterial(InputWorkspace='IRS26173',ChemicalFormula='Fe')
-
+SetSampleMaterial(InputWorkspace='IRS26173',ChemicalFormula='Fe')
+
=====Setting the sample by a more complex formula=====
- SetSampleMaterial(InputWorkspace='IRS26173',ChemicalFormula='Al2-O3', UnitCellVolume='253.54', ZParameter='6')
+SetSampleMaterial(InputWorkspace='IRS26173',ChemicalFormula='Al2-O3', UnitCellVolume='253.54', ZParameter='6')
=====Setting the sample by specific values=====
- SetSampleMaterial(InputWorkspace='IRS26173',AtomicNumber=26,AttenuationXSection=2.56,ScatteringXSection=11.62,SampleNumberDensity=0.0849106)
+SetSampleMaterial(InputWorkspace='IRS26173',AtomicNumber=26,AttenuationXSection=2.56,ScatteringXSection=11.62,SampleNumberDensity=0.0849106)
=====Extracting the set values out by python=====
- sam = ws.sample()
- mat = sam.getMaterial()
- print mat.absorbXSection()
- 1.3374
- print mat.cohScatterXSection()
- 339.1712
- print mat.name()
- C2 H4
- print mat.totalScatterXSection()
- 339.1712
-
- *WIKI_USAGE*/
+sam = ws.sample()
+mat = sam.getMaterial()
+print mat.absorbXSection()
+1.3374
+print mat.cohScatterXSection()
+339.1712
+print mat.name()
+C2 H4
+print mat.totalScatterXSection()
+339.1712
+
+*WIKI_USAGE*/
//--------------------------------
// Includes
//--------------------------------
@@ -49,49 +49,49 @@ using namespace Mantid::PhysicalConstants;
namespace Mantid
{
-namespace DataHandling
-{
- // Register the algorithm into the AlgorithmFactory
- DECLARE_ALGORITHM(SetSampleMaterial)
-
- SetSampleMaterial::SetSampleMaterial() : Mantid::API::Algorithm() {}
- SetSampleMaterial::~SetSampleMaterial() {}
- const std::string SetSampleMaterial::name() const
+ namespace DataHandling
{
- return "SetSampleMaterial";
- }
+ // Register the algorithm into the AlgorithmFactory
+ DECLARE_ALGORITHM(SetSampleMaterial)
- int SetSampleMaterial::version() const
- {
- return (1);
- }
+ SetSampleMaterial::SetSampleMaterial() : Mantid::API::Algorithm() {}
+ SetSampleMaterial::~SetSampleMaterial() {}
+ const std::string SetSampleMaterial::name() const
+ {
+ return "SetSampleMaterial";
+ }
- const std::string SetSampleMaterial::category() const
- {
- return "Sample;DataHandling";
- }
+ int SetSampleMaterial::version() const
+ {
+ return (1);
+ }
- /// Sets documentation strings for this algorithm
- void SetSampleMaterial::initDocs()
- {
- this->setWikiSummary("Sets the neutrons information in the sample.");
- this->setOptionalMessage("Sets the neutrons information in the sample.");
- }
+ const std::string SetSampleMaterial::category() const
+ {
+ return "Sample;DataHandling";
+ }
- using namespace Mantid::DataHandling;
- using namespace Mantid::API;
- using namespace Kernel;
+ /// Sets documentation strings for this algorithm
+ void SetSampleMaterial::initDocs()
+ {
+ this->setWikiSummary("Sets the neutrons information in the sample.");
+ this->setOptionalMessage("Sets the neutrons information in the sample.");
+ }
- /**
- * Initialize the algorithm
- */
- void SetSampleMaterial::init()
- {
- using namespace Mantid::Kernel;
- declareProperty(
+ using namespace Mantid::DataHandling;
+ using namespace Mantid::API;
+ using namespace Kernel;
+
+ /**
+ * Initialize the algorithm
+ */
+ void SetSampleMaterial::init()
+ {
+ using namespace Mantid::Kernel;
+ declareProperty(
new WorkspaceProperty<Workspace>("InputWorkspace","",Direction::InOut),
"The workspace with which to associate the sample ");
- declareProperty("ChemicalFormula", "", "ChemicalFormula or AtomicNumber must be given. "
+ declareProperty("ChemicalFormula", "", "ChemicalFormula or AtomicNumber must be given. "
"Enter a composition as a molecular formula of \n"
"elements or isotopes. For example, basic "
"elements might be \"H\", \"Fe\" or \"Si\", etc. \n"
@@ -116,225 +116,226 @@ namespace DataHandling
"by parenthesis, except for two special "
"cases, D and T, which stand for H2 and H3, \n"
"respectively.");
- declareProperty("AtomicNumber", 0, "ChemicalFormula or AtomicNumber must be given");
- declareProperty("MassNumber", 0, "Mass number if ion (default is 0)");
- auto mustBePositive = boost::make_shared<BoundedValidator<double> >();
- mustBePositive->setLower(0.0);
- declareProperty("SampleNumberDensity", EMPTY_DBL(), mustBePositive,
+ declareProperty("AtomicNumber", 0, "ChemicalFormula or AtomicNumber must be given");
+ declareProperty("MassNumber", 0, "Mass number if ion (default is 0)");
+ auto mustBePositive = boost::make_shared<BoundedValidator<double> >();
+ mustBePositive->setLower(0.0);
+ declareProperty("SampleNumberDensity", EMPTY_DBL(), mustBePositive,
"Optional: This number density of the sample in number of atoms per cubic angstrom will be used instead of calculated");
- declareProperty("ZParameter", EMPTY_DBL(), mustBePositive,
+ declareProperty("ZParameter", EMPTY_DBL(), mustBePositive,
"Number of formulas in the unit cell needed for chemical formulas with more than 1 atom");
- declareProperty("UnitCellVolume", EMPTY_DBL(), mustBePositive,
+ declareProperty("UnitCellVolume", EMPTY_DBL(), mustBePositive,
"Unit cell volume in Angstoms^3 needed for chemical formulas with more than 1 atom");
- declareProperty("CoherentXSection", EMPTY_DBL(), mustBePositive,
+ declareProperty("CoherentXSection", EMPTY_DBL(), mustBePositive,
"Optional: This coherent cross-section for the sample material in barns will be used instead of tabulated");
- declareProperty("IncoherentXSection", EMPTY_DBL(), mustBePositive,
+ declareProperty("IncoherentXSection", EMPTY_DBL(), mustBePositive,
"Optional: This incoherent cross-section for the sample material in barns will be used instead of tabulated");
- declareProperty("AttenuationXSection", EMPTY_DBL(), mustBePositive,
+ declareProperty("AttenuationXSection", EMPTY_DBL(), mustBePositive,
"Optional: This absorption cross-section for the sample material in barns will be used instead of tabulated");
- declareProperty("ScatteringXSection", EMPTY_DBL(), mustBePositive,
+ declareProperty("ScatteringXSection", EMPTY_DBL(), mustBePositive,
"Optional: This total scattering cross-section (coherent + incoherent) for the sample material in barns will be used instead of tabulated");
-
- // Perform Group Associations.
- std::string formulaGrp("By Formula or Atomic Number");
- setPropertyGroup("ChemicalFormula", formulaGrp);
- setPropertyGroup("AtomicNumber", formulaGrp);
- setPropertyGroup("MassNumber", formulaGrp);
-
- std::string densityGrp("Sample Density");
- setPropertyGroup("SampleNumberDensity", densityGrp);
- setPropertyGroup("ZParameter", densityGrp);
- setPropertyGroup("UnitCellVolume", densityGrp);
-
- std::string specificValuesGrp("Override Cross Section Values");
- setPropertyGroup("CoherentXSection", specificValuesGrp);
- setPropertyGroup("IncoherentXSection", specificValuesGrp);
- setPropertyGroup("AttenuationXSection", specificValuesGrp);
- setPropertyGroup("ScatteringXSection", specificValuesGrp);
-
- // Extra property settings
- setPropertySettings("AtomicNumber", new Kernel::EnabledWhenProperty("ChemicalFormula", Kernel::IS_DEFAULT));
- setPropertySettings("MassNumber", new Kernel::EnabledWhenProperty("ChemicalFormula", Kernel::IS_DEFAULT));
-
- setPropertySettings("UnitCellVolume", new Kernel::EnabledWhenProperty("SampleNumberDensity", Kernel::IS_DEFAULT));
- setPropertySettings("ZParameter", new Kernel::EnabledWhenProperty("SampleNumberDensity", Kernel::IS_DEFAULT));
-
- //output properties
- declareProperty("SampleNumberDensityResult", EMPTY_DBL(), "The provided or calculated sample number density in atoms/Angstrom^3", Direction::Output);
- declareProperty("ReferenceWavelength", EMPTY_DBL(), "The reference wavelength in Angstroms", Direction::Output);
- declareProperty("TotalXSectionResult", EMPTY_DBL(), "The provided or calculated total cross-section for the sample material in barns.", Direction::Output);
- declareProperty("IncoherentXSectionResult", EMPTY_DBL(), "The provided or calculated incoherent cross-section for the sample material in barns.", Direction::Output);
- declareProperty("CoherentXSectionResult", EMPTY_DBL(), "The provided or calculated coherent cross-section for the sample material in barns.", Direction::Output);
- declareProperty("AbsorptionXSectionResult", EMPTY_DBL(),"The provided or calculated Absorption cross-section for the sample material in barns.", Direction::Output);
-
- }
- std::map<std::string, std::string> SetSampleMaterial::validateInputs()
- {
- std::map<std::string, std::string> result;
- const std::string chemicalSymbol = getProperty("ChemicalFormula");
- const int z_number = getProperty("AtomicNumber");
- const int a_number = getProperty("MassNumber");
- if (chemicalSymbol.empty())
- {
- if (z_number <= 0)
- {
- result["ChemicalFormula"] = "Need to specify the material";
+ // Perform Group Associations.
+ std::string formulaGrp("By Formula or Atomic Number");
+ setPropertyGroup("ChemicalFormula", formulaGrp);
+ setPropertyGroup("AtomicNumber", formulaGrp);
+ setPropertyGroup("MassNumber", formulaGrp);
+
+ std::string densityGrp("Sample Density");
+ setPropertyGroup("SampleNumberDensity", densityGrp);
+ setPropertyGroup("ZParameter", densityGrp);
+ setPropertyGroup("UnitCellVolume", densityGrp);
+
+ std::string specificValuesGrp("Override Cross Section Values");
+ setPropertyGroup("CoherentXSection", specificValuesGrp);
+ setPropertyGroup("IncoherentXSection", specificValuesGrp);
+ setPropertyGroup("AttenuationXSection", specificValuesGrp);
+ setPropertyGroup("ScatteringXSection", specificValuesGrp);
+
+ // Extra property settings
+ setPropertySettings("AtomicNumber", new Kernel::EnabledWhenProperty("ChemicalFormula", Kernel::IS_DEFAULT));
+ setPropertySettings("MassNumber", new Kernel::EnabledWhenProperty("ChemicalFormula", Kernel::IS_DEFAULT));
+
+ setPropertySettings("UnitCellVolume", new Kernel::EnabledWhenProperty("SampleNumberDensity", Kernel::IS_DEFAULT));
+ setPropertySettings("ZParameter", new Kernel::EnabledWhenProperty("SampleNumberDensity", Kernel::IS_DEFAULT));
+
+ //output properties
+ declareProperty("SampleNumberDensityResult", EMPTY_DBL(), "The provided or calculated sample number density in atoms/Angstrom^3", Direction::Output);
+ declareProperty("ReferenceWavelength", EMPTY_DBL(), "The reference wavelength in Angstroms", Direction::Output);
+ declareProperty("TotalXSectionResult", EMPTY_DBL(), "The provided or calculated total cross-section for the sample material in barns.", Direction::Output);
+ declareProperty("IncoherentXSectionResult", EMPTY_DBL(), "The provided or calculated incoherent cross-section for the sample material in barns.", Direction::Output);
+ declareProperty("CoherentXSectionResult", EMPTY_DBL(), "The provided or calculated coherent cross-section for the sample material in barns.", Direction::Output);
+ declareProperty("AbsorptionXSectionResult", EMPTY_DBL(),"The provided or calculated Absorption cross-section for the sample material in barns.", Direction::Output);
- }
}
- else
+
+ std::map<std::string, std::string> SetSampleMaterial::validateInputs()
{
- if (z_number > 0)
- result["AtomicNumber"] = "Cannot specify both ChemicalFormula and AtomicNumber";
- }
+ std::map<std::string, std::string> result;
+ const std::string chemicalSymbol = getProperty("ChemicalFormula");
+ const int z_number = getProperty("AtomicNumber");
+ const int a_number = getProperty("MassNumber");
+ if (chemicalSymbol.empty())
+ {
+ if (z_number <= 0)
+ {
+ result["ChemicalFormula"] = "Need to specify the material";
- if (a_number > 0 && z_number <= 0)
- result["AtomicNumber"] = "Specified MassNumber without AtomicNumber";
+ }
+ }
+ else
+ {
+ if (z_number > 0)
+ result["AtomicNumber"] = "Cannot specify both ChemicalFormula and AtomicNumber";
+ }
- return result;
- }
+ if (a_number > 0 && z_number <= 0)
+ result["AtomicNumber"] = "Specified MassNumber without AtomicNumber";
- /**
- * Add the cross sections to the neutron atom if they are not-empty
- * numbers. All values are in barns.
- *
- * @param neutron The neutron to update
- * @param coh_xs Coherent cross section
- * @param inc_xs Incoherent cross section
- * @param abs_xs Absorption cross section
- * @param tot_xs Total scattering cross section
- */
- void SetSampleMaterial::fixNeutron(NeutronAtom &neutron,
- double coh_xs, double inc_xs,
- double abs_xs, double tot_xs)
- {
- if (!isEmpty(coh_xs))
- neutron.coh_scatt_xs = coh_xs;
- if (!isEmpty(inc_xs))
- neutron.inc_scatt_xs = inc_xs;
- if (!isEmpty(abs_xs))
- neutron.abs_scatt_xs = abs_xs;
- if (!isEmpty(tot_xs))
- neutron.tot_scatt_xs = tot_xs;
- }
+ return result;
+ }
- /**
- * Execute the algorithm
- */
- void SetSampleMaterial::exec()
- {
- // Get the input workspace
- Workspace_sptr workspace = getProperty("InputWorkspace");
- // an ExperimentInfo object has a sample
- ExperimentInfo_sptr expInfo = boost::dynamic_pointer_cast<ExperimentInfo>(workspace);
- if (!bool(expInfo))
+ /**
+ * Add the cross sections to the neutron atom if they are not-empty
+ * numbers. All values are in barns.
+ *
+ * @param neutron The neutron to update
+ * @param coh_xs Coherent cross section
+ * @param inc_xs Incoherent cross section
+ * @param abs_xs Absorption cross section
+ * @param tot_xs Total scattering cross section
+ */
+ void SetSampleMaterial::fixNeutron(NeutronAtom &neutron,
+ double coh_xs, double inc_xs,
+ double abs_xs, double tot_xs)
{
- throw std::runtime_error("InputWorkspace does not have a sample object");
+ if (!isEmpty(coh_xs))
+ neutron.coh_scatt_xs = coh_xs;
+ if (!isEmpty(inc_xs))
+ neutron.inc_scatt_xs = inc_xs;
+ if (!isEmpty(abs_xs))
+ neutron.abs_scatt_xs = abs_xs;
+ if (!isEmpty(tot_xs))
+ neutron.tot_scatt_xs = tot_xs;
}
- // determine the sample number density
- double rho = getProperty("SampleNumberDensity"); // in Angstroms-3
- double zParameter = getProperty("ZParameter"); // number of atoms
- if (isEmpty(rho))
+ /**
+ * Execute the algorithm
+ */
+ void SetSampleMaterial::exec()
{
- double unitCellVolume = getProperty("UnitCellVolume"); // in Angstroms^3
+ // Get the input workspace
+ Workspace_sptr workspace = getProperty("InputWorkspace");
+ // an ExperimentInfo object has a sample
+ ExperimentInfo_sptr expInfo = boost::dynamic_pointer_cast<ExperimentInfo>(workspace);
+ if (!bool(expInfo))
+ {
+ throw std::runtime_error("InputWorkspace does not have a sample object");
+ }
- // get the unit cell volume from the workspace if it isn't set
- if (isEmpty(unitCellVolume) && expInfo->sample().hasOrientedLattice())
+ // determine the sample number density
+ double rho = getProperty("SampleNumberDensity"); // in Angstroms-3
+ double zParameter = getProperty("ZParameter"); // number of atoms
+ if (isEmpty(rho))
{
- unitCellVolume = expInfo->sample().getOrientedLattice().volume();
- g_log.notice() << "found unit cell volume " << unitCellVolume << " Angstrom^-3\n";
+ double unitCellVolume = getProperty("UnitCellVolume"); // in Angstroms^3
+
+ // get the unit cell volume from the workspace if it isn't set
+ if (isEmpty(unitCellVolume) && expInfo->sample().hasOrientedLattice())
+ {
+ unitCellVolume = expInfo->sample().getOrientedLattice().volume();
+ g_log.notice() << "found unit cell volume " << unitCellVolume << " Angstrom^-3\n";
+ }
+ // density is just number of atoms in the unit cell
+ // ...but only calculate it if you have both numbers
+ if ((!isEmpty(zParameter)) && (!isEmpty(unitCellVolume)))
+ rho = zParameter / unitCellVolume;
}
- // density is just number of atoms in the unit cell
- // ...but only calculate it if you have both numbers
- if ((!isEmpty(zParameter)) && (!isEmpty(unitCellVolume)))
- rho = zParameter / unitCellVolume;
- }
- // get the scattering information - this will override table values
- double coh_xs = getProperty("CoherentXSection"); // in barns
- double inc_xs = getProperty("IncoherentXSection"); // in barns
- double sigma_atten = getProperty("AttenuationXSection"); // in barns
- double sigma_s = getProperty("ScatteringXSection"); // in barns
+ // get the scattering information - this will override table values
+ double coh_xs = getProperty("CoherentXSection"); // in barns
+ double inc_xs = getProperty("IncoherentXSection"); // in barns
+ double sigma_atten = getProperty("AttenuationXSection"); // in barns
+ double sigma_s = getProperty("ScatteringXSection"); // in barns
- // determine the material
- const std::string chemicalSymbol = getProperty("ChemicalFormula");
- const int z_number = getProperty("AtomicNumber");
- const int a_number = getProperty("MassNumber");
+ // determine the material
+ const std::string chemicalSymbol = getProperty("ChemicalFormula");
+ const int z_number = getProperty("AtomicNumber");
+ const int a_number = getProperty("MassNumber");
- boost::scoped_ptr<Material> mat;
- if (!chemicalSymbol.empty())
- {
- // Use chemical formula if given by user
- Material::ChemicalFormula CF = Material::parseChemicalFormula(chemicalSymbol);
- g_log.notice() << "Found " << CF.atoms.size() << " types of atoms in \""
- << chemicalSymbol << "\"\n";
-
- double numAtoms = 0.; // number of atoms in formula
- NeutronAtom neutron(0, 0., 0., 0., 0., 0., 0.); // starting thing for neutronic information
- if (CF.atoms.size() == 1 && isEmpty(zParameter) && isEmpty(rho))
+ boost::scoped_ptr<Material> mat;
+ if (!chemicalSymbol.empty())
{
-
- Atom myAtom = getAtom(chemicalSymbol, CF.aNumbers[0]);
- mat.reset(new Material(chemicalSymbol, myAtom.neutron, myAtom.number_density));
+ // Use chemical formula if given by user
+ Material::ChemicalFormula CF = Material::parseChemicalFormula(chemicalSymbol);
+ g_log.notice() << "Found " << CF.atoms.size() << " types of atoms in \""
+ << chemicalSymbol << "\"\n";
+
+
+ NeutronAtom neutron(0, 0., 0., 0., 0., 0., 0.); // starting thing for neutronic information
+ if (CF.atoms.size() == 1 && isEmpty(zParameter) && isEmpty(rho))
+ {
+
+ Atom myAtom = getAtom(chemicalSymbol, CF.aNumbers[0]);
+ mat.reset(new Material(chemicalSymbol, myAtom.neutron, myAtom.number_density));
+ }
+ else
+ {
+ double numAtoms = 0.; // number of atoms in formula
+ for (size_t i=0; i<CF.atoms.size(); i++)
+ {
+ Atom myAtom = getAtom(CF.atoms[i], CF.aNumbers[i]);
+ neutron = neutron + CF.numberAtoms[i] * myAtom.neutron;
+
+ g_log.information() << myAtom << ": " << myAtom.neutron << "\n";
+ numAtoms += static_cast<double>(CF.numberAtoms[i]);
+ }
+ // normalize the accumulated number by the number of atoms
+ neutron = (1. / numAtoms) * neutron; // funny syntax b/c of operators in neutron atom
+
+ fixNeutron(neutron, coh_xs, inc_xs, sigma_atten, sigma_s);
+
+ // create the material
+ mat.reset(new Material(chemicalSymbol, neutron, rho));
+ }
}
else
{
- for (size_t i=0; i<CF.atoms.size(); i++)
- {
- Atom myAtom = getAtom(CF.atoms[i], CF.aNumbers[i]);
- neutron = neutron + CF.numberAtoms[i] * myAtom.neutron;
-
- g_log.information() << myAtom << ": " << myAtom.neutron << "\n";
- numAtoms += static_cast<double>(CF.numberAtoms[i]);
- }
- // normalize the accumulated number by the number of atoms
- neutron = (1. / numAtoms) * neutron; // funny syntax b/c of operators in neutron atom
+ // try using the atomic number
+ Atom atom = getAtom(static_cast<uint16_t>(z_number), static_cast<uint16_t>(a_number));
+ NeutronAtom neutron = atom.neutron;
+ fixNeutron(neutron, coh_xs, inc_xs, sigma_atten, sigma_s);
- fixNeutron(neutron, coh_xs, inc_xs, sigma_atten, sigma_s);
-
- // create the material
- mat.reset(new Material(chemicalSymbol, neutron, rho));
+ // create the material
+ mat.reset(new Material(chemicalSymbol, neutron, rho));
}
- }
- else
- {
- // try using the atomic number
- Atom atom = getAtom(static_cast<uint16_t>(z_number), static_cast<uint16_t>(a_number));
- NeutronAtom neutron = atom.neutron;
- fixNeutron(neutron, coh_xs, inc_xs, sigma_atten, sigma_s);
- // create the material
- mat.reset(new Material(chemicalSymbol, neutron, rho));
+ // set the material on workspace
+ expInfo->mutableSample().setMaterial(*mat);
+ g_log.notice() << "Sample number density ";
+ if (isEmpty(mat->numberDensity()))
+ {
+ g_log.notice() << "was not specified\n";
+ }
+ else
+ {
+ g_log.notice() << "= " << mat->numberDensity() << " atoms/Angstrom^3\n";
+ setProperty("SampleNumberDensityResult", mat->numberDensity()); // in atoms/Angstrom^3
+ }
+ g_log.notice() << "Cross sections for wavelength = " << NeutronAtom::ReferenceLambda << "Angstroms\n"
+ << " Coherent " << mat->cohScatterXSection() << " barns\n"
+ << " Incoherent " << mat->incohScatterXSection() << " barns\n"
+ << " Total " << mat->totalScatterXSection() << " barns\n"
+ << " Absorption " << mat->absorbXSection() << " barns\n";
+ setProperty("CoherentXSectionResult", mat->cohScatterXSection()); // in barns
+ setProperty("IncoherentXSectionResult", mat->incohScatterXSection()); // in barns
+ setProperty("TotalXSectionResult",mat->totalScatterXSection()); // in barns
+ setProperty("AbsorptionXSectionResult",mat->absorbXSection()); // in barns
+ setProperty("ReferenceWavelength",NeutronAtom::ReferenceLambda); // in Angstroms
+
+ // Done!
+ progress(1);
}
- // set the material on workspace
- expInfo->mutableSample().setMaterial(*mat);
- g_log.notice() << "Sample number density ";
- if (isEmpty(mat->numberDensity()))
- {
- g_log.notice() << "was not specified\n";
- }
- else
- {
- g_log.notice() << "= " << mat->numberDensity() << " atoms/Angstrom^3\n";
- setProperty("SampleNumberDensityResult", mat->numberDensity()); // in atoms/Angstrom^3
- }
- g_log.notice() << "Cross sections for wavelength = " << NeutronAtom::ReferenceLambda << "Angstroms\n"
- << " Coherent " << mat->cohScatterXSection() << " barns\n"
- << " Incoherent " << mat->incohScatterXSection() << " barns\n"
- << " Total " << mat->totalScatterXSection() << " barns\n"
- << " Absorption " << mat->absorbXSection() << " barns\n";
- setProperty("CoherentXSectionResult", mat->cohScatterXSection()); // in barns
- setProperty("IncoherentXSectionResult", mat->incohScatterXSection()); // in barns
- setProperty("TotalXSectionResult",mat->totalScatterXSection()); // in barns
- setProperty("AbsorptionXSectionResult",mat->absorbXSection()); // in barns
- setProperty("ReferenceWavelength",NeutronAtom::ReferenceLambda); // in Angstroms
-
- // Done!
- progress(1);
}
-
-}
}
diff --git a/Code/Mantid/Framework/Geometry/src/Crystal/IndexingUtils.cpp b/Code/Mantid/Framework/Geometry/src/Crystal/IndexingUtils.cpp
index 3235ed0491729f866dce17410efce24e5d9d898d..a5afbf086a6ad80279baf429d0c36545d1e875b2 100644
--- a/Code/Mantid/Framework/Geometry/src/Crystal/IndexingUtils.cpp
+++ b/Code/Mantid/Framework/Geometry/src/Crystal/IndexingUtils.cpp
@@ -1407,11 +1407,11 @@ size_t IndexingUtils::FFTScanFor_Directions( std::vector<V3D> & directions,
std::vector<V3D> full_list = MakeHemisphereDirections( num_steps );
// find the maximum magnitude of Q to set range
- double mag_Q; // needed for FFT
+ // needed for FFT
double max_mag_Q = 0;
for ( size_t q_num = 1; q_num < q_vectors.size(); q_num++ )
{
- mag_Q = q_vectors[ q_num ].norm() / (2.0 * M_PI);
+ double mag_Q = q_vectors[ q_num ].norm() / (2.0 * M_PI);
if ( mag_Q > max_mag_Q )
max_mag_Q = mag_Q;
}
@@ -1482,12 +1482,12 @@ size_t IndexingUtils::FFTScanFor_Directions( std::vector<V3D> & directions,
for ( size_t i = 0; i < temp_dirs.size(); i++ )
{
- max_mag_fft = GetMagFFT( q_vectors,
- temp_dirs[i],
- N_FFT_STEPS,
- projections,
- index_factor,
- magnitude_fft );
+ GetMagFFT( q_vectors,
+ temp_dirs[i],
+ N_FFT_STEPS,
+ projections,
+ index_factor,
+ magnitude_fft );
double position = GetFirstMaxIndex(magnitude_fft, N_FFT_STEPS, threshold);
if ( position > 0 )
@@ -1634,13 +1634,11 @@ double IndexingUtils::GetMagFFT( const std::vector<V3D> & q_vectors,
}
// project onto direction
V3D q_vec;
- double dot_prod;
- size_t index;
for ( size_t q_num = 0; q_num < q_vectors.size(); q_num++ )
{
q_vec = q_vectors[ q_num ] / (2.0 * M_PI);
- dot_prod = current_dir.scalar_prod( q_vec );
- index = (size_t)fabs(index_factor * dot_prod);
+ double dot_prod = current_dir.scalar_prod( q_vec );
+ size_t index = static_cast<size_t>(fabs(index_factor * dot_prod));
if ( index < N )
projections[ index ] += 1;
else
@@ -2033,7 +2031,6 @@ void IndexingUtils::DiscardDuplicates( std::vector<V3D> & new_list,
V3D next_dir;
V3D zero_vec(0,0,0);
- double current_length;
double next_length;
double length_diff;
double angle;
@@ -2044,7 +2041,7 @@ void IndexingUtils::DiscardDuplicates( std::vector<V3D> & new_list,
while ( dir_num < directions.size() ) // put sequence of similar vectors
{ // in list temp
current_dir = directions[ dir_num ];
- current_length = current_dir.norm();
+ double current_length = current_dir.norm();
dir_num++;
if ( current_length > 0 ) // skip any zero vectors
@@ -2083,11 +2080,11 @@ void IndexingUtils::DiscardDuplicates( std::vector<V3D> & new_list,
}
// now scan through temp list to
int max_indexed = 0; // find the one that indexes most
- int num_indexed;
+
int max_i = -1;
for ( size_t i = 0; i < temp.size(); i++ )
{
- num_indexed = NumberIndexed_1D( temp[i],
+ int num_indexed = NumberIndexed_1D( temp[i],
q_vectors,
required_tolerance );
if ( num_indexed > max_indexed )
@@ -2229,22 +2226,16 @@ double IndexingUtils::IndexingError( const DblMatrix & UB,
"Different size hkl and q_vectors in IndexingError()");
}
- double h_error;
- double k_error;
- double l_error;
+
double total_error = 0;
V3D hkl;
for ( size_t i = 0; i < hkls.size(); i++ )
{
hkl = UB_inverse * q_vectors[i] / (2.0 * M_PI);
-/*
- h_error = fabs( hkl[0] - round(hkls[i][0]) );
- k_error = fabs( hkl[1] - round(hkls[i][1]) );
- l_error = fabs( hkl[2] - round(hkls[i][2]) );
-*/
- h_error = fabs( hkl[0] - round(hkl[0]) );
- k_error = fabs( hkl[1] - round(hkl[1]) );
- l_error = fabs( hkl[2] - round(hkl[2]) );
+
+ double h_error = fabs( hkl[0] - round(hkl[0]) );
+ double k_error = fabs( hkl[1] - round(hkl[1]) );
+ double l_error = fabs( hkl[2] - round(hkl[2]) );
total_error += h_error + k_error + l_error;
}
@@ -2373,16 +2364,13 @@ int IndexingUtils::NumberIndexed_1D( const V3D & direction,
if ( direction.norm() == 0 )
return 0;
- double proj_value;
- double error;
- int nearest_int;
int count = 0;
for ( size_t i = 0; i < q_vectors.size(); i++ )
{
- proj_value = direction.scalar_prod( q_vectors[i] ) / (2.0 * M_PI);
- nearest_int = round( proj_value );
- error = fabs( proj_value - nearest_int );
+ double proj_value = direction.scalar_prod( q_vectors[i] ) / (2.0 * M_PI);
+ int nearest_int = round( proj_value );
+ double error = fabs( proj_value - nearest_int );
if ( error <= tolerance )
{
count++;
@@ -2552,9 +2540,6 @@ int IndexingUtils::GetIndexedPeaks_1D( const V3D & direction,
std::vector<V3D> & indexed_qs,
double & fit_error )
{
- int nearest_int;
- double proj_value;
- double error;
int num_indexed = 0;
index_vals.clear();
indexed_qs.clear();
@@ -2569,9 +2554,9 @@ int IndexingUtils::GetIndexedPeaks_1D( const V3D & direction,
for ( size_t q_num = 0; q_num < q_vectors.size(); q_num++ )
{
- proj_value = direction.scalar_prod( q_vectors[ q_num ] ) / (2.0 * M_PI);
- nearest_int = round( proj_value );
- error = fabs( proj_value - nearest_int );
+ double proj_value = direction.scalar_prod( q_vectors[ q_num ] ) / (2.0 * M_PI);
+ int nearest_int = round( proj_value );
+ double error = fabs( proj_value - nearest_int );
if ( error < required_tolerance )
{
fit_error += error * error;
@@ -2629,15 +2614,6 @@ int IndexingUtils::GetIndexedPeaks_3D( const V3D & direction_1,
std::vector<V3D> & indexed_qs,
double & fit_error )
{
- double projected_h;
- double projected_k;
- double projected_l;
- double h_error;
- double k_error;
- double l_error;
- int h_int;
- int k_int;
- int l_int;
V3D hkl;
int num_indexed = 0;
@@ -2651,21 +2627,21 @@ int IndexingUtils::GetIndexedPeaks_3D( const V3D & direction_1,
for ( size_t q_num = 0; q_num < q_vectors.size(); q_num++ )
{
- projected_h = direction_1.scalar_prod( q_vectors[ q_num ] ) / (2.0 * M_PI);
- projected_k = direction_2.scalar_prod( q_vectors[ q_num ] ) / (2.0 * M_PI);
- projected_l = direction_3.scalar_prod( q_vectors[ q_num ] ) / (2.0 * M_PI);
+ double projected_h = direction_1.scalar_prod( q_vectors[ q_num ] ) / (2.0 * M_PI);
+ double projected_k = direction_2.scalar_prod( q_vectors[ q_num ] ) / (2.0 * M_PI);
+ double projected_l = direction_3.scalar_prod( q_vectors[ q_num ] ) / (2.0 * M_PI);
hkl( projected_h, projected_k, projected_l );
if ( ValidIndex( hkl, required_tolerance ) )
{
- h_int = round( projected_h );
- k_int = round( projected_k );
- l_int = round( projected_l );
+ int h_int = round( projected_h );
+ int k_int = round( projected_k );
+ int l_int = round( projected_l );
- h_error = fabs( projected_h - h_int );
- k_error = fabs( projected_k - k_int );
- l_error = fabs( projected_l - l_int );
+ double h_error = fabs( projected_h - h_int );
+ double k_error = fabs( projected_k - k_int );
+ double l_error = fabs( projected_l - l_int );
fit_error += h_error*h_error + k_error*k_error + l_error*l_error;
@@ -2943,20 +2919,18 @@ int IndexingUtils::SelectDirection( V3D & best_direction,
throw std::invalid_argument("SelectDirection(): List of possible directions has zero length");
}
- double dot_product;
int nearest_int;
double error;
- double sum_sq_error;
double min_sum_sq_error = 1.0e100;
for ( size_t dir_num = 0; dir_num < direction_list.size(); dir_num++ )
{
- sum_sq_error = 0;
+ double sum_sq_error = 0;
V3D direction = direction_list[ dir_num ];
direction/=plane_spacing;
for ( size_t q_num = 0; q_num < q_vectors.size(); q_num++ )
{
- dot_product = direction.scalar_prod( q_vectors[ q_num ] ) / (2.0 * M_PI);
+ double dot_product = direction.scalar_prod( q_vectors[ q_num ] ) / (2.0 * M_PI);
nearest_int = round( dot_product );
error = fabs( dot_product - nearest_int );
sum_sq_error += error * error;
@@ -2969,11 +2943,10 @@ int IndexingUtils::SelectDirection( V3D & best_direction,
}
}
- double proj_value = 0;
int num_indexed = 0;
for ( size_t q_num = 0; q_num < q_vectors.size(); q_num++ )
{
- proj_value = best_direction.scalar_prod( q_vectors[ q_num ] ) / (2.0 * M_PI);
+ double proj_value = best_direction.scalar_prod( q_vectors[ q_num ] ) / (2.0 * M_PI);
nearest_int = round( proj_value );
error = fabs( proj_value - nearest_int );
if ( error < required_tolerance )
@@ -3286,7 +3259,6 @@ bool IndexingUtils::MakeNiggliUB( const DblMatrix & UB,
// some tests with 5% noise
double length_tol = 0.001;
double total_length;
- double next_length;
std::vector<DblMatrix> short_list;
short_list.push_back( UB_list[0] );
@@ -3298,7 +3270,7 @@ bool IndexingUtils::MakeNiggliUB( const DblMatrix & UB,
while ( i < UB_list.size() && !got_short_list )
{
GetABC( UB_list[i], v1, v2, v3 );
- next_length = v1.norm() + v2.norm() + v3.norm();
+ double next_length = v1.norm() + v2.norm() + v3.norm();
if ( fabs(next_length - total_length)/total_length < length_tol )
short_list.push_back( UB_list[i] );
else
diff --git a/Code/Mantid/Framework/Geometry/src/Crystal/ScalarUtils.cpp b/Code/Mantid/Framework/Geometry/src/Crystal/ScalarUtils.cpp
index 020bb75d45c52709fa3351d789b085d3e74e5a0c..0f414733c5edd988363326fed32cd434860340d5 100644
--- a/Code/Mantid/Framework/Geometry/src/Crystal/ScalarUtils.cpp
+++ b/Code/Mantid/Framework/Geometry/src/Crystal/ScalarUtils.cpp
@@ -228,7 +228,6 @@ ConventionalCell ScalarUtils::GetCellForForm( const DblMatrix & UB,
ReducedCell form_0;
ReducedCell form;
- double error;
double min_error = 1e20; // errors are usually < 10, so this is big enough
std::vector<double> l_params;
@@ -245,7 +244,7 @@ ConventionalCell ScalarUtils::GetCellForForm( const DblMatrix & UB,
form = ReducedCell( form_num, l_params[0], l_params[1], l_params[2],
l_params[3], l_params[4], l_params[5] );
- error = form_0.WeightedDistance( form );
+ double error = form_0.WeightedDistance( form );
if ( error < min_error )
{
info = ConventionalCell( UB_list[i], form_num );
@@ -307,14 +306,13 @@ ConventionalCell ScalarUtils::GetCellBestError(
ConventionalCell info = list[0];
double min_error = 1.0e20;
- double error;
std::string type;
bool min_found = false;
for ( size_t i = 0; i < list.size(); i++ )
{
type = list[i].GetCellType();
- error = list[i].GetError();
+ double error = list[i].GetError();
if ( ( use_triclinic || type != ReducedCell::TRICLINIC() ) &&
error < min_error )
{
diff --git a/Code/Mantid/Framework/Geometry/src/Instrument/DetectorGroup.cpp b/Code/Mantid/Framework/Geometry/src/Instrument/DetectorGroup.cpp
index 32c1485e1186c00234d6ea1dadfb4ada40fb415e..37bcd1493cf847eab477d1f94afbeff5ccb43bdf 100644
--- a/Code/Mantid/Framework/Geometry/src/Instrument/DetectorGroup.cpp
+++ b/Code/Mantid/Framework/Geometry/src/Instrument/DetectorGroup.cpp
@@ -144,12 +144,11 @@ namespace Mantid
double DetectorGroup::getSignedTwoTheta(const Kernel::V3D& observer, const Kernel::V3D& axis, const Kernel::V3D& instrumentUp) const
{
double result = 0.0;
- double angle = 0.0;
DetCollection::const_iterator it;
for (it = m_detectors.begin(); it != m_detectors.end(); ++it)
{
const V3D sampleDetVec = it->second->getPos() - observer;
- angle = sampleDetVec.angle(axis);
+ double angle = sampleDetVec.angle(axis);
V3D cross = axis.cross_prod(sampleDetVec);
V3D normToSurface = axis.cross_prod(instrumentUp);
diff --git a/Code/Mantid/Framework/Geometry/src/Instrument/Goniometer.cpp b/Code/Mantid/Framework/Geometry/src/Instrument/Goniometer.cpp
index e1838b4a0a1234f83ea14ea87f3b9ed56ae1ddf5..d3c342813039b33f0c6ac1a5dadd273f884185bb 100644
--- a/Code/Mantid/Framework/Geometry/src/Instrument/Goniometer.cpp
+++ b/Code/Mantid/Framework/Geometry/src/Instrument/Goniometer.cpp
@@ -117,12 +117,11 @@ std::string Goniometer::axesInfo()
}
else
{
- double angle;
info<<"Name \t Direction \t Sense \t Angle \n";
for(it=motors.begin(); it<motors.end(); ++it)
{
sense=((*it).sense==CCW)?strCCW:strCW;
- angle=((*it).angleunit==angDegrees)?((*it).angle): ((*it).angle*rad2deg);
+ double angle=((*it).angleunit==angDegrees)?((*it).angle): ((*it).angle*rad2deg);
info<<(*it).name<<"\t"<<(*it).rotationaxis<<"\t"<<sense<<"\t"<<angle<<std::endl;
}
}
@@ -291,10 +290,9 @@ void Goniometer::recalculateR()
std::vector<double> elements;
Quat QGlobal,QCurrent;
- double ang;
for(it=motors.begin(); it<motors.end(); ++it)
{
- ang=(*it).angle;
+ double ang=(*it).angle;
if((*it).angleunit==angRadians) ang*=rad2deg;
QCurrent=Quat(ang,(*it).rotationaxis);
QGlobal*=QCurrent;
diff --git a/Code/Mantid/Framework/Geometry/src/Instrument/InstrumentDefinitionParser.cpp b/Code/Mantid/Framework/Geometry/src/Instrument/InstrumentDefinitionParser.cpp
index 6a646f4d6d6f82fe434cff412cebcb46689ce2a4..1be030b78f6c791b52f340b7888641ba7b7b749e 100644
--- a/Code/Mantid/Framework/Geometry/src/Instrument/InstrumentDefinitionParser.cpp
+++ b/Code/Mantid/Framework/Geometry/src/Instrument/InstrumentDefinitionParser.cpp
@@ -2390,9 +2390,6 @@ namespace Geometry
bool alongPhi = false;
double x=0.0, y=0.0, z=0.0;
- double x_end=0.0;
- double y_end=0.0;
- double z_end=0.0;
bool alongX = false;
bool alongY = false;
bool alongZ = false;
@@ -2501,7 +2498,7 @@ namespace Geometry
{
if ( pElem->hasAttribute("y-end") || pElem->hasAttribute("z-end") )
throwTooManyEndAttributeInLocations("x-end", "y-end or z-end");
- x_end = atof((pElem->getAttribute("x-end")).c_str());
+ double x_end = atof((pElem->getAttribute("x-end")).c_str());
alongX = true;
step = (x_end - x) / static_cast<double>(n_elements-1);
nAlong++;
@@ -2511,7 +2508,7 @@ namespace Geometry
{
if ( pElem->hasAttribute("x-end") || pElem->hasAttribute("z-end") )
throwTooManyEndAttributeInLocations("y-end", "x-end or z-end");
- y_end = atof((pElem->getAttribute("y-end")).c_str());
+ double y_end = atof((pElem->getAttribute("y-end")).c_str());
alongY = true;
step = (y_end - y) / static_cast<double>(n_elements-1);
nAlong++;
@@ -2521,7 +2518,7 @@ namespace Geometry
{
if ( pElem->hasAttribute("x-end") || pElem->hasAttribute("y-end") )
throwTooManyEndAttributeInLocations("z-end", "x-end or y-end");
- z_end = atof((pElem->getAttribute("z-end")).c_str());
+ double z_end = atof((pElem->getAttribute("z-end")).c_str());
alongZ = true;
step = (z_end - z) / static_cast<double>(n_elements-1);
nAlong++;
@@ -2530,7 +2527,6 @@ namespace Geometry
// also check if 'rot' is the one to step through
double rot=0.0;
- double rot_end = 0.0;
bool along_rot = false;
if ( pElem->hasAttribute("rot") )
{
@@ -2538,7 +2534,7 @@ namespace Geometry
if ( pElem->hasAttribute("rot-end") )
{
- rot_end = atof((pElem->getAttribute("rot-end")).c_str());
+ double rot_end = atof((pElem->getAttribute("rot-end")).c_str());
along_rot = true;
step = (rot_end - rot) / static_cast<double>(n_elements-1);
nAlong++;
diff --git a/Code/Mantid/Framework/Geometry/src/Math/Acomp.cpp b/Code/Mantid/Framework/Geometry/src/Math/Acomp.cpp
index cc4b2d45f728c91a8fa9d61a1f238774bebf0b6e..6511e2493b9a3294a75bda522266ffa5c5073ea4 100644
--- a/Code/Mantid/Framework/Geometry/src/Math/Acomp.cpp
+++ b/Code/Mantid/Framework/Geometry/src/Math/Acomp.cpp
@@ -623,10 +623,10 @@ namespace Mantid
@param BX :: binary component
*/
{
- int flag,S,V;
+ int S,V;
for(int i=0;i<static_cast<int>(BX.Size());i++)
{
- flag=BX[i];
+ int flag=BX[i];
if (flag)
{
split(flag,S,V);
@@ -1393,7 +1393,7 @@ namespace Mantid
if (retJoin!=1) // single unit is alway ok
retJoin=1-Intersect;
- int aimTruth,S,V;
+ int S,V;
std::map<int,int>::const_iterator bv;
std::vector<int>::const_iterator uc;
// e.g. a'b 1 1 (retJoin ==1)
@@ -1403,7 +1403,7 @@ namespace Mantid
bv=Base.find(V);
if (bv==Base.end())
throw std::runtime_error("Base unit not found");
- aimTruth= (S<0) ? 1-retJoin : retJoin;
+ int aimTruth= (S<0) ? 1-retJoin : retJoin;
if (bv->second == aimTruth) // any true then return true
return retJoin;
@@ -1445,8 +1445,7 @@ namespace Mantid
std::vector<Acomp> V;
// Only have First level components to consider
std::vector<Acomp>::const_iterator cc;
- int cell;
-
+
std::vector<Acomp> Flist,Glist;
if (!getDNFpart(Flist) || !G.getDNFpart(Glist))
return std::pair<Acomp,Acomp>(Acomp(),Acomp());
@@ -1458,6 +1457,7 @@ namespace Mantid
V.push_back(Acomp(0)); //intersection Unit
Acomp& Uitem= U.back();
Acomp& Vitem= V.back();
+ int cell;
while( (cell = cc->itemN(itemCnt)) )
{
if (Gmap.find(cell)!=Gmap.end())
@@ -1793,13 +1793,7 @@ namespace Mantid
{
if (!Intersect && (vc!=Comp.begin() || !Units.empty()))
cx<<'+';
- // if ( join && (*vc)->type() )
- if ( !vc->Intersect )
- cx<<'('<<vc->display()<<')';
- else
- cx<<'('<<vc->display()<<')';
- // cx<<vc->display();
-
+ cx<<'('<<vc->display()<<')';
}
return cx.str();
}
diff --git a/Code/Mantid/Framework/Geometry/src/Objects/Object.cpp b/Code/Mantid/Framework/Geometry/src/Objects/Object.cpp
index 11111c6d8d9834d57af15370ba32e93bd5388b1d..435c672560d5471c46100d7fdbbc46ffc2fbced0 100644
--- a/Code/Mantid/Framework/Geometry/src/Objects/Object.cpp
+++ b/Code/Mantid/Framework/Geometry/src/Objects/Object.cpp
@@ -882,12 +882,12 @@ namespace Mantid
// angles. This could be optimised further e.g. by
// using a light weight version of the interceptSurface method - this does more work
// than is necessary in this application.
- // Accuracy is of the order of 1% for objects with an accurate boundng box, though
+ // Accuracy is of the order of 1% for objects with an accurate bounding box, though
// less in the case of high aspect ratios.
//
// resBB controls accuracy and cost - linear accuracy improvement with increasing res,
// but quadratic increase in run time. If no bounding box found, resNoBB used instead.
- const int resNoBB = 200, resBB = 100, resPhiMin = 10;
+ const int resNoBB = 200, resPhiMin = 10;
int res = resNoBB, itheta, jphi, resPhi;
double theta, phi, sum, dphi, dtheta;
if (this->isValid(observer) && !this->isOnSide(observer))
@@ -907,6 +907,7 @@ namespace Mantid
useBB = usePt = true;
thetaMax = boundingBox.angularWidth(observer);
ptInObject = boundingBox.centrePoint();
+ const int resBB = 100;
res = resBB;
}
// Try and find a point in the object if useful bounding box not found
diff --git a/Code/Mantid/Framework/Geometry/src/Objects/ShapeFactory.cpp b/Code/Mantid/Framework/Geometry/src/Objects/ShapeFactory.cpp
index 1adf96a3f158f5323622a2ad79ea3dfd92f0f6f2..414b0355e1aeecd89ae10fcf5850c9a197ba28ee 100644
--- a/Code/Mantid/Framework/Geometry/src/Objects/ShapeFactory.cpp
+++ b/Code/Mantid/Framework/Geometry/src/Objects/ShapeFactory.cpp
@@ -259,11 +259,10 @@ boost::shared_ptr<Object> ShapeFactory::createShape(Poco::XML::Element* pElem)
//std::string algebra; // to hold algebra in a way Mantid can understand
std::map<std::string,std::string>::iterator iter;
- size_t found;
std::map<size_t,std::string, std::greater<size_t> > allFound;
for( iter = idMatching.begin(); iter != idMatching.end(); ++iter )
{
- found = algebraFromUser.find(iter->first);
+ size_t found = algebraFromUser.find(iter->first);
if (found==std::string::npos)
{
diff --git a/Code/Mantid/Framework/Geometry/src/Rendering/CacheGeometryRenderer.cpp b/Code/Mantid/Framework/Geometry/src/Rendering/CacheGeometryRenderer.cpp
index 2d4c53b793a87e4b7d6db20e081793decd9f7820..10458816a6d4f94b2419052a309389ff4249abff 100644
--- a/Code/Mantid/Framework/Geometry/src/Rendering/CacheGeometryRenderer.cpp
+++ b/Code/Mantid/Framework/Geometry/src/Rendering/CacheGeometryRenderer.cpp
@@ -61,13 +61,12 @@ namespace Mantid
{
(void) noPts; //Avoid compiler warning
glBegin(GL_TRIANGLES);
- int index1, index2, index3;
V3D normal;
for (int i = 0; i < noFaces; i++)
{
- index1 = faces[i * 3] * 3;
- index2 = faces[i * 3 + 1] * 3;
- index3 = faces[i * 3 + 2] * 3;
+ int index1 = faces[i * 3] * 3;
+ int index2 = faces[i * 3 + 1] * 3;
+ int index3 = faces[i * 3 + 2] * 3;
//Calculate normal and normalize
V3D v1(points[index1], points[index1 + 1], points[index1 + 2]);
V3D v2(points[index2], points[index2 + 1], points[index2 + 2]);
diff --git a/Code/Mantid/Framework/ICat/src/ICat4/ICat4Catalog.cpp b/Code/Mantid/Framework/ICat/src/ICat4/ICat4Catalog.cpp
index 3c1dd39967a4cfe84a0c969007b022ad21120214..59cdec7fe29c49d3701964e1b70b0dd4e19ad2fb 100644
--- a/Code/Mantid/Framework/ICat/src/ICat4/ICat4Catalog.cpp
+++ b/Code/Mantid/Framework/ICat/src/ICat4/ICat4Catalog.cpp
@@ -376,7 +376,7 @@ namespace Mantid
catch(std::runtime_error& exception)
{
g_log.information("An error occurred when saving the ICat search results data to Workspace");
- throw exception;
+ throw;
}
}
else
@@ -449,7 +449,7 @@ namespace Mantid
catch(std::runtime_error& exception)
{
g_log.information("An error occurred when saving file data to workspace.");
- throw exception;
+ throw;
}
}
}
@@ -522,7 +522,7 @@ namespace Mantid
catch(std::runtime_error& exception)
{
g_log.information("An error occurred when saving file data to workspace.");
- throw exception;
+ throw;
}
}
else
diff --git a/Code/Mantid/Framework/Kernel/src/BinFinder.cpp b/Code/Mantid/Framework/Kernel/src/BinFinder.cpp
index f92fae943acad5422cd91c05b23424ae47f960f1..464b82d30cb6fcfe7e4e281de9894363f5bdbdec 100644
--- a/Code/Mantid/Framework/Kernel/src/BinFinder.cpp
+++ b/Code/Mantid/Framework/Kernel/src/BinFinder.cpp
@@ -117,7 +117,7 @@ namespace Kernel
int BinFinder::bin(double x)
{
int index;
- double min, max;
+ double min;
//Too small?
if (x < boundaries[0])
@@ -128,7 +128,7 @@ namespace Kernel
for (i=0; i < numRegions; i++)
{
min = boundaries[i];
- max = boundaries[i+1];
+ double max = boundaries[i+1];
if ( (x >= min) && (x < max) )
break;
}
diff --git a/Code/Mantid/Framework/Kernel/src/Matrix.cpp b/Code/Mantid/Framework/Kernel/src/Matrix.cpp
index c62f669c42a557947559eb752b0a9fbe18b5ff81..40837c156b5ba158383892632f657aa817619235 100644
--- a/Code/Mantid/Framework/Kernel/src/Matrix.cpp
+++ b/Code/Mantid/Framework/Kernel/src/Matrix.cpp
@@ -1163,12 +1163,11 @@ Matrix<T>::factor()
if (nx!=ny || nx<1)
throw std::runtime_error("Matrix::factor Matrix is not NxN");
- double Pmax;
double deter=1.0;
for(int i=0;i<static_cast<int>(nx)-1;i++) //loop over each row
{
int jmax=i;
- Pmax=fabs(V[i][i]);
+ double Pmax=fabs(V[i][i]);
for(int j=i+1;j<static_cast<int>(nx);j++) // find max in Row i
{
if (fabs(V[i][j])>Pmax)
@@ -1256,7 +1255,6 @@ Matrix<T>::lubcmp(int* rowperm,int& interchange)
@param rowperm :: row permuations [nx values]
*/
{
- int imax(0),j,k;
double sum,dum,big,temp;
if (nx!=ny || nx<2)
@@ -1269,7 +1267,7 @@ Matrix<T>::lubcmp(int* rowperm,int& interchange)
for(int i=0;i<static_cast<int>(nx);i++)
{
big=0.0;
- for(j=0;j<static_cast<int>(nx);j++)
+ for(int j=0;j<static_cast<int>(nx);j++)
if ((temp=fabs(V[i][j])) > big)
big=temp;
@@ -1281,21 +1279,21 @@ Matrix<T>::lubcmp(int* rowperm,int& interchange)
vv[i]=1.0/big;
}
- for (j=0;j<static_cast<int>(nx);j++)
+ for (int j=0;j<static_cast<int>(nx);j++)
{
for(int i=0;i<j;i++)
{
sum=V[i][j];
- for(k=0;k<i;k++)
+ for(int k=0;k<i;k++)
sum-= V[i][k] * V[k][j];
V[i][j]=static_cast<T>(sum);
}
big=0.0;
- imax=j;
+ int imax=j;
for (int i=j;i<static_cast<int>(nx);i++)
{
sum=V[i][j];
- for (k=0;k<j;k++)
+ for (int k=0;k<j;k++)
sum -= V[i][k] * V[k][j];
V[i][j]=static_cast<T>(sum);
if ( (dum=vv[i] * fabs(sum)) >=big)
@@ -1307,7 +1305,7 @@ Matrix<T>::lubcmp(int* rowperm,int& interchange)
if (j!=imax)
{
- for(k=0;k<static_cast<int>(nx);k++)
+ for(int k=0;k<static_cast<int>(nx);k++)
{ //Interchange rows
dum=V[imax][k];
V[imax][k]=V[j][k];
@@ -1457,7 +1455,6 @@ Matrix<T>::Diagonalise(Matrix<T>& EigenVec,Matrix<T>& DiagMatrix) const
@return :: 1 on success 0 on failure
*/
{
- double theta,tresh,tanAngle,cosAngle,sinAngle;
if(nx!=ny || nx<1)
{
std::cerr<<"Matrix not square"<<std::endl;
@@ -1490,10 +1487,9 @@ Matrix<T>::Diagonalise(Matrix<T>& EigenVec,Matrix<T>& DiagMatrix) const
}
int iteration=0;
- double sm;
for(int i=0;i<100;i++) //max 50 iterations
{
- sm=0.0; // sum of off-diagonal terms
+ double sm=0.0; // sum of off-diagonal terms
for(size_t ip=0;ip<nx-1;ip++)
for(size_t iq=ip+1;iq<nx;iq++)
sm+=fabs(A.V[ip][iq]);
@@ -1508,7 +1504,7 @@ Matrix<T>::Diagonalise(Matrix<T>& EigenVec,Matrix<T>& DiagMatrix) const
}
// Threshold large for first 5 sweeps
- tresh= (i<6) ? 0.2*sm/static_cast<int>(nx*nx) : 0.0;
+ double tresh= (i<6) ? 0.2*sm/static_cast<int>(nx*nx) : 0.0;
for(int ip=0;ip<static_cast<int>(nx)-1;ip++)
{
@@ -1523,12 +1519,13 @@ Matrix<T>::Diagonalise(Matrix<T>& EigenVec,Matrix<T>& DiagMatrix) const
else if (fabs(A.V[ip][iq])>tresh)
{
+ double tanAngle,cosAngle,sinAngle;
double h=Diag[iq]-Diag[ip];
if (static_cast<float>((fabs(h)+g)) == static_cast<float>(fabs(h)))
tanAngle=A.V[ip][iq]/h; // tanAngle=1/(2theta)
else
{
- theta=0.5*h/A.V[ip][iq];
+ double theta=0.5*h/A.V[ip][iq];
tanAngle=1.0/(fabs(theta)+sqrt(1.0+theta*theta));
if (theta<0.0)
tanAngle = -tanAngle;
@@ -1620,14 +1617,13 @@ std::vector<T> Matrix<T>::toRotation()
if (this->nx != this->ny) throw(std::invalid_argument("matrix is not square"));
if (fabs(this->determinant()) <1e-10) throw(std::invalid_argument("Determinant is too small"));
// step 1: orthogonalize the matrix
- double spself,spother;
for (size_t i=0; i<this->ny;++i)
{
- spself=0.;
+ double spself=0.;
for (size_t j=0; j<this->nx;++j) spself+=(V[j][i]*V[j][i]);
for (size_t k=i+1; k<this->ny;++k)
{
- spother=0;
+ double spother=0;
for (size_t j=0; j<this->nx;++j) spother+=(V[j][i]*V[j][k]);
for (size_t j=0; j<this->nx;++j) V[j][k]-=static_cast<T>(V[j][i]*spother/spself);
}
diff --git a/Code/Mantid/Framework/Kernel/src/Statistics.cpp b/Code/Mantid/Framework/Kernel/src/Statistics.cpp
index f8cd235a50a0755e32841bb649f06e0bd16dd0bf..390dddcd3485801f0e2cec06eec74b7a719b6b74 100644
--- a/Code/Mantid/Framework/Kernel/src/Statistics.cpp
+++ b/Code/Mantid/Framework/Kernel/src/Statistics.cpp
@@ -104,7 +104,7 @@ namespace Mantid
return Zscore;
}
std::vector<double> Zscore;
- double tmp;
+
Statistics stats = getStatistics(data, sorted);
if(stats.standard_deviation == 0.)
{
@@ -114,7 +114,7 @@ namespace Mantid
typename vector<TYPE>::const_iterator it = data.begin();
for (; it != data.end(); ++it)
{
- tmp = static_cast<double> (*it);
+ double tmp = static_cast<double> (*it);
Zscore.push_back(fabs((tmp - stats.mean) / stats.standard_deviation));
}
return Zscore;
@@ -181,11 +181,10 @@ namespace Mantid
stats.minimum = stats.mean;
stats.maximum = stats.mean;
double stddev = 0.;
- double temp;
typename vector<TYPE>::const_iterator it = data.begin();
for (; it != data.end(); ++it)
{
- temp = static_cast<double> (*it);
+ double temp = static_cast<double> (*it);
stddev += ((temp - stats.mean) * (temp - stats.mean));
if (temp > stats.maximum)
stats.maximum = temp;
@@ -280,6 +279,7 @@ namespace Mantid
rfactor.Rp = (sumrpnom/sumrpdenom);
rfactor.Rwp = std::sqrt(sumnom/sumdenom);
+ // cppcheck-suppress duplicateExpression
if (rfactor.Rwp != rfactor.Rwp)
std::cout << "Rwp is NaN. Denominator = " << sumnom << "; Nominator = " << sumdenom << ". \n";
diff --git a/Code/Mantid/Framework/Kernel/src/TimeSeriesProperty.cpp b/Code/Mantid/Framework/Kernel/src/TimeSeriesProperty.cpp
index 4b19661a46778351d769902f5efc19880ad5c5e5..05734b091e7ca16336933815bf6e00f8730fe073 100644
--- a/Code/Mantid/Framework/Kernel/src/TimeSeriesProperty.cpp
+++ b/Code/Mantid/Framework/Kernel/src/TimeSeriesProperty.cpp
@@ -386,16 +386,12 @@ namespace Mantid
// And at the same time, iterate through the splitter
Kernel::TimeSplitterType::iterator itspl = splitter.begin();
- //Info of each splitter
- DateAndTime start, stop;
- int index;
-
while (itspl != splitter.end())
{
//Get the splitting interval times and destination
- start = itspl->start();
- stop = itspl->stop();
- index = itspl->index();
+ DateAndTime start = itspl->start();
+ DateAndTime stop = itspl->stop();
+ int index = itspl->index();
// Skip the events before the start of the time
// TODO Algorithm here can be refactored for better performance
diff --git a/Code/Mantid/Framework/Kernel/src/VectorHelper.cpp b/Code/Mantid/Framework/Kernel/src/VectorHelper.cpp
index a753e5e89621ecb9978ce72e7bbb3cadb19bdd44..4d87b05a3766c6b877741d1d8506a13e4b9ed9c7 100644
--- a/Code/Mantid/Framework/Kernel/src/VectorHelper.cpp
+++ b/Code/Mantid/Framework/Kernel/src/VectorHelper.cpp
@@ -114,14 +114,14 @@ void rebin(const std::vector<double>& xold, const std::vector<double>& yold, con
}
size_t iold = 0, inew = 0;
- double xo_low, xo_high, xn_low, xn_high, delta(0.0), width;
+ double width;
while ((inew < size_ynew) && (iold < size_yold))
{
- xo_low = xold[iold];
- xo_high = xold[iold + 1];
- xn_low = xnew[inew];
- xn_high = xnew[inew + 1];
+ double xo_low = xold[iold];
+ double xo_high = xold[iold + 1];
+ double xn_low = xnew[inew];
+ double xn_high = xnew[inew + 1];
if (xn_high <= xo_low)
inew++; /* old and new bins do not overlap */
else if (xo_high <= xn_low)
@@ -130,7 +130,7 @@ void rebin(const std::vector<double>& xold, const std::vector<double>& yold, con
{
// delta is the overlap of the bins on the x axis
//delta = std::min(xo_high, xn_high) - std::max(xo_low, xn_low);
- delta = xo_high < xn_high ? xo_high : xn_high;
+ double delta = xo_high < xn_high ? xo_high : xn_high;
delta -= xo_low > xn_low ? xo_low : xn_low;
width = xo_high - xo_low;
if ((delta <= 0.0) || (width <= 0.0))
diff --git a/Code/Mantid/Framework/LiveData/src/ISISLiveEventDataListener.cpp b/Code/Mantid/Framework/LiveData/src/ISISLiveEventDataListener.cpp
index 15ba2d75047339a690dc7cdc1eaeb97a8e5d239c..3289f213f673d5398d9c3779efe8b5a24241a888 100644
--- a/Code/Mantid/Framework/LiveData/src/ISISLiveEventDataListener.cpp
+++ b/Code/Mantid/Framework/LiveData/src/ISISLiveEventDataListener.cpp
@@ -230,7 +230,6 @@ void ISISLiveEventDataListener::run()
if (m_isConnected == false) // sanity check
{
throw std::runtime_error( std::string("No connection to the DAE."));
- return; // should never be called, but here just in case exceptions are disabled
}
TCPStreamEventDataNeutron events;
diff --git a/Code/Mantid/Framework/MDAlgorithms/src/ConvertToMDHelper.cpp b/Code/Mantid/Framework/MDAlgorithms/src/ConvertToMDHelper.cpp
index 4c1f94cb003efbdf0992f006b109c7268d679309..b2168b3e5b750cdcdb18b17a3c5f479b9627cda0 100644
--- a/Code/Mantid/Framework/MDAlgorithms/src/ConvertToMDHelper.cpp
+++ b/Code/Mantid/Framework/MDAlgorithms/src/ConvertToMDHelper.cpp
@@ -144,10 +144,10 @@ namespace MDAlgorithms
MatrixWorkspace_sptr ws=getProperty("InputWorkspace"),wstemp;
DataObjects::EventWorkspace_sptr evWS;
- double xmin,xmax;
if (QDimension=="CopyToMD")
{
+ double xmin,xmax;
ws->getXMinMax(xmin,xmax);
MinValues.push_back(xmin);
MaxValues.push_back(xmax);
diff --git a/Code/Mantid/Framework/MDAlgorithms/src/DivideMD.cpp b/Code/Mantid/Framework/MDAlgorithms/src/DivideMD.cpp
index 354a88e5adff5da1ce50eace48120d9ffb70d248..a90a9de831e41f57b332b201096dea2567c9c37b 100644
--- a/Code/Mantid/Framework/MDAlgorithms/src/DivideMD.cpp
+++ b/Code/Mantid/Framework/MDAlgorithms/src/DivideMD.cpp
@@ -119,9 +119,9 @@ namespace MDAlgorithms
for (size_t i=0; i<boxes.size(); i++)
{
MDBox<MDE,nd> * box = dynamic_cast<MDBox<MDE,nd> *>(boxes[i]);
- size_t ic(0);
if (box)
{
+ size_t ic(0);
typename std::vector<MDE> & events = box->getEvents();
typename std::vector<MDE>::iterator it = events.begin();
typename std::vector<MDE>::iterator it_end = events.end();
diff --git a/Code/Mantid/Framework/MDAlgorithms/src/LoadSQW.cpp b/Code/Mantid/Framework/MDAlgorithms/src/LoadSQW.cpp
index 37dd44ae72aeb726aabcebec3014658d4297fd25..67a24d80b5ecdf587be3c0d8d28236d6170fd266 100644
--- a/Code/Mantid/Framework/MDAlgorithms/src/LoadSQW.cpp
+++ b/Code/Mantid/Framework/MDAlgorithms/src/LoadSQW.cpp
@@ -242,7 +242,7 @@ namespace Mantid
declareProperty(new Kernel::PropertyWithValue<bool>("MetadataOnly", false),
"Load Metadata without events.");
std::vector<std::string> fileExtensions2(1);
- fileExtensions[0]=".nxs";
+ fileExtensions2[0]=".nxs";
declareProperty(new API::FileProperty("OutputFilename","", API::FileProperty::OptionalSave, fileExtensions2),
"If the input SQW file is too large to fit in memory, specify an output NXS file.\n"
"The MDEventWorkspace will be create with this file as its back-end.");
@@ -1036,11 +1036,10 @@ namespace LoadSQWHelper
dataStream.seekg(npax*4,std::ios_base::cur);
mdImageSize = 1;
- unsigned int nAxisPoints;
for(unsigned int i=0;i<npax;i++){
dataStream.read(&data_buffer[0],4);
- nAxisPoints = *((uint32_t*)(&data_buffer[0]));
+ unsigned int nAxisPoints = *((uint32_t*)(&data_buffer[0]));
nBins[i] = nAxisPoints-1;
mdImageSize *= nBins[i] ;
dataStream.seekg(nAxisPoints*4,std::ios_base::cur);
diff --git a/Code/Mantid/Framework/MDEvents/src/BoxControllerNeXusIO.cpp b/Code/Mantid/Framework/MDEvents/src/BoxControllerNeXusIO.cpp
index 69a0aadc979f3616c947b705f9225fe7fba3d9db..50f848f696848ce57aefb2890a87773d0fb92a94 100644
--- a/Code/Mantid/Framework/MDEvents/src/BoxControllerNeXusIO.cpp
+++ b/Code/Mantid/Framework/MDEvents/src/BoxControllerNeXusIO.cpp
@@ -466,8 +466,7 @@ void BoxControllerNeXusIO::loadBlock(std::vector<double> & Block, const uint64_t
{
std::vector<int64_t> free_dims(2,2);
free_dims[0] = int64_t(freeSpaceBlocks.size()/2);
- std::vector<int64_t> free_chunk(2,2);
- free_chunk[0] =int64_t(m_dataChunk);
+
m_File->writeUpdatedData("free_space_blocks", freeSpaceBlocks, free_dims);
}
}
diff --git a/Code/Mantid/Framework/MDEvents/src/Integrate3DEvents.cpp b/Code/Mantid/Framework/MDEvents/src/Integrate3DEvents.cpp
index 3a1bcc73252578255c595405267a82fdf70fc274..eda675d56923922468174a0ab2cb2bba7f820510 100644
--- a/Code/Mantid/Framework/MDEvents/src/Integrate3DEvents.cpp
+++ b/Code/Mantid/Framework/MDEvents/src/Integrate3DEvents.cpp
@@ -194,15 +194,13 @@ int Integrate3DEvents::numInEllipsoid( std::vector<V3D> const & events,
std::vector<V3D> const & directions,
std::vector<double> const & sizes )
{
- int count = 0;
- double comp;
- double sum;
+ int count = 0;
for ( size_t i = 0; i < events.size(); i++ )
{
- sum = 0;
+ double sum = 0;
for ( size_t k = 0; k < 3; k++ )
{
- comp = events[i].scalar_prod( directions[k] ) / sizes[k];
+ double comp = events[i].scalar_prod( directions[k] ) / sizes[k];
sum += comp * comp;
}
if ( sum <= 1 )
@@ -312,24 +310,23 @@ double Integrate3DEvents::stdDev( std::vector<V3D> const & events,
{
double sum = 0;
double sum_sq = 0;
+ double stdev = 0;
int count = 0;
- double dot_prod;
for ( size_t i = 0; i < events.size(); i++ )
{
if ( events[i].norm() <= radius )
{
- dot_prod = events[i].scalar_prod( direction );
+ double dot_prod = events[i].scalar_prod( direction );
sum += dot_prod;
sum_sq += dot_prod * dot_prod;
count++;
}
}
- double ave = 0;
- double stdev = 0;
+
if ( count > 1 )
{
- ave = sum / count;
+ double ave = sum / count;
stdev = sqrt( (sum_sq/count - ave*ave) * (double)count/(count-1.0) );
}
diff --git a/Code/Mantid/Framework/MDEvents/src/MDEventWorkspace.cpp b/Code/Mantid/Framework/MDEvents/src/MDEventWorkspace.cpp
index c1b296957cfce2c48bffc17218c559ed7f07fb3d..c90a3604c9d04d25abb22d92d0b2fc7e5dc31971 100644
--- a/Code/Mantid/Framework/MDEvents/src/MDEventWorkspace.cpp
+++ b/Code/Mantid/Framework/MDEvents/src/MDEventWorkspace.cpp
@@ -424,21 +424,17 @@ namespace MDEvents
CPUTimer tim;
UNUSED_ARG(start);
UNUSED_ARG(num);
+
// Boxes to show
std::vector<API::IMDNode *> boxes;
std::vector<MDBoxBase<MDE,nd>* > boxes_filtered;
this->getBox()->getBoxes(boxes, 1000, false);
-
- bool withPointsOnly = true;
boxes_filtered.reserve(boxes.size());
for (size_t i=0; i<boxes.size(); i++)
{
MDBoxBase<MDE,nd>* box = dynamic_cast<MDBoxBase<MDE,nd>* >(boxes[i]);
- if (box->getNPoints() > 0 && withPointsOnly)
- boxes_filtered.push_back(box);
- else
- boxes_filtered.push_back(box);
+ boxes_filtered.push_back(box);
}
diff --git a/Code/Mantid/Framework/Nexus/src/NexusFileIO.cpp b/Code/Mantid/Framework/Nexus/src/NexusFileIO.cpp
index 1dc898263fd15ccd8c7d76e32ca283497ae0f77d..9b67a20e6151b58b187187f9bf03f7838fba157a 100644
--- a/Code/Mantid/Framework/Nexus/src/NexusFileIO.cpp
+++ b/Code/Mantid/Framework/Nexus/src/NexusFileIO.cpp
@@ -727,8 +727,6 @@ using namespace DataObjects;
* */
int NexusFileIO::writeEventList( const DataObjects::EventList & el, std::string group_name) const
{
- int dims_array[1];
-
//write data entry
NXstatus status=NXmakegroup(fileID, group_name.c_str(), "NXdata");
if(status==NX_ERROR) return(2);
@@ -741,6 +739,7 @@ using namespace DataObjects;
if (!dets.empty())
{
std::vector<detid_t> detectorIDs(dets.begin(),dets.end());
+ int dims_array[1];
NXwritedata("detector_IDs", NX_INT64, 1, dims_array, (void*)(detectorIDs.data()), false );
}
diff --git a/Code/Mantid/Framework/SINQ/src/InvertMDDim.cpp b/Code/Mantid/Framework/SINQ/src/InvertMDDim.cpp
index d379a3b353b0d66af399f498950f3574709a5be8..b978b1401115f0bfc25f236b11dfd56cf97af2b3 100644
--- a/Code/Mantid/Framework/SINQ/src/InvertMDDim.cpp
+++ b/Code/Mantid/Framework/SINQ/src/InvertMDDim.cpp
@@ -69,11 +69,10 @@ void InvertMDDim::recurseDim(IMDHistoWorkspace_sptr inWS, IMDHistoWorkspace_sptr
{
boost::shared_ptr<const IMDDimension> dimi = inWS->getDimension(currentDim);
if(currentDim == rank - 1) {
- unsigned int inIDX, outIDX;
for(int i = 0; i < static_cast<int>(dimi->getNBins()); i++){
idx[currentDim] = i;
- inIDX = calcIndex(inWS,idx);
- outIDX = calcInvertedIndex(outWS,idx);
+ unsigned int inIDX = calcIndex(inWS,idx);
+ unsigned int outIDX = calcInvertedIndex(outWS,idx);
outWS->setSignalAt(outIDX,inWS->signalAt(inIDX));
outWS->setErrorSquaredAt(outIDX,inWS->errorSquaredAt(inIDX));
}
diff --git a/Code/Mantid/Framework/SINQ/src/LoadFlexiNexus.cpp b/Code/Mantid/Framework/SINQ/src/LoadFlexiNexus.cpp
index bbe1669d2c9882fb54193a1e9238f3aee685ade0..7c5ce05a41a327b479c18a01e31690af01bb38d9 100644
--- a/Code/Mantid/Framework/SINQ/src/LoadFlexiNexus.cpp
+++ b/Code/Mantid/Framework/SINQ/src/LoadFlexiNexus.cpp
@@ -62,40 +62,40 @@ using namespace::NeXus;
void LoadFlexiNexus::init()
{
- std::vector<std::string> exts;
- exts.push_back(".hdf");
- exts.push_back(".h5");
- exts.push_back("");
-
-
- declareProperty(new FileProperty("Filename", "", FileProperty::Load, exts),
- "A NeXus file");
- std::vector<std::string> exts2;
- exts2.push_back(".txt");
- exts2.push_back(".dic");
- exts2.push_back("");
- declareProperty(new FileProperty("Dictionary", "", FileProperty::Load, exts2),
- "A Dictionary for controlling NeXus loading");
- declareProperty(new WorkspaceProperty<Workspace>("OutputWorkspace","",Direction::Output));
+ std::vector<std::string> exts;
+ exts.push_back(".hdf");
+ exts.push_back(".h5");
+ exts.push_back("");
+
+
+ declareProperty(new FileProperty("Filename", "", FileProperty::Load, exts),
+ "A NeXus file");
+ std::vector<std::string> exts2;
+ exts2.push_back(".txt");
+ exts2.push_back(".dic");
+ exts2.push_back("");
+ declareProperty(new FileProperty("Dictionary", "", FileProperty::Load, exts2),
+ "A Dictionary for controlling NeXus loading");
+ declareProperty(new WorkspaceProperty<Workspace>("OutputWorkspace","",Direction::Output));
}
void LoadFlexiNexus::exec()
{
-
+
std::string filename = getProperty("Filename");
std::string dictname = getProperty("Dictionary");
g_log.information() << "Running FlexiNexus for " << filename << " with " << dictname << std::endl;
-
+
loadDictionary(getProperty("Dictionary"));
/* print the dictionary for debugging..........
for(std::map<std::string, std::string>::const_iterator it = dictionary.begin();
- it!= dictionary.end(); it++){
- std::cout << it->first << "\t" << it->second << std::endl;
+ it!= dictionary.end(); it++){
+ std::cout << it->first << "\t" << it->second << std::endl;
}
*/
-
+
File fin(filename);
readData(&fin);
@@ -107,13 +107,13 @@ void LoadFlexiNexus::loadDictionary(std::string dictFile)
std::string line, key, value;
while(std::getline(in,line)){
- // skip comments
+ // skip comments
if(line[0] == '#'){
continue;
}
// skip empty lines
if(line.length() < 2){
- continue;
+ continue;
}
std::istringstream l(line);
std::getline(l,key,'=');
@@ -128,185 +128,167 @@ void LoadFlexiNexus::loadDictionary(std::string dictFile)
void LoadFlexiNexus::readData(NeXus::File *fin)
{
- Mantid::DataObjects::Workspace2D_sptr ws;
- std::map<std::string,std::string>::const_iterator it;
-
- if((it = dictionary.find("data")) == dictionary.end()){
- throw std::runtime_error("Required dictionary element data not found");
- }
-
- // inspect the data element and create WS matching dims
- if(!safeOpenpath(fin, it->second)){
- throw std::runtime_error("data NeXus path not found!");
- }
-
- Info inf = fin->getInfo();
- size_t rank = inf.dims.size();
- boost::shared_array<int> data;
-
- if(rank <= 2){
- load2DWorkspace(fin);
- } else {
- loadMD(fin);
- }
+ Mantid::DataObjects::Workspace2D_sptr ws;
+ std::map<std::string,std::string>::const_iterator it;
+
+ if((it = dictionary.find("data")) == dictionary.end()){
+ throw std::runtime_error("Required dictionary element data not found");
+ }
+
+ // inspect the data element and create WS matching dims
+ if(!safeOpenpath(fin, it->second)){
+ throw std::runtime_error("data NeXus path not found!");
+ }
+
+ Info inf = fin->getInfo();
+ size_t rank = inf.dims.size();
+ boost::shared_array<int> data;
+
+ if(rank <= 2){
+ load2DWorkspace(fin);
+ } else {
+ loadMD(fin);
+ }
}
void LoadFlexiNexus::load2DWorkspace(NeXus::File *fin)
{
- Mantid::DataObjects::Workspace2D_sptr ws;
- int nSpectra, spectraLength;
- std::vector<int> data;
-
- // read the data first
- fin->getDataCoerce(data);
-
- Info inf = fin->getInfo();
- if(inf.dims.size() == 1){
- nSpectra = 1;
- spectraLength = static_cast<int>(inf.dims[0]);
- } else {
- nSpectra = static_cast<int>(inf.dims[0]);
- spectraLength = static_cast<int>(inf.dims[1]);
- }
-
- // need to locate x-axis data too.....
- std::map<std::string,std::string>::const_iterator it;
- std::vector<double> xData;
- if((it = dictionary.find("x-axis")) == dictionary.end()){
- xData.reserve(spectraLength);
- for(int i = 0; i < spectraLength; i++){
- xData[i] = (double)i;
- }
- } else {
- if(safeOpenpath(fin,it->second)){
- fin->getDataCoerce(xData);
- }
- }
-
- // need to locate y-axis data too.....
- std::vector<double> yData;
- if((it = dictionary.find("y-axis")) == dictionary.end()){
- yData.resize(nSpectra);
- for(int i = 0; i < nSpectra; i++){
- yData[i] = (double)i;
- }
- } else {
- if(safeOpenpath(fin,it->second)){
- fin->getDataCoerce(yData);
- }
- }
-
- // fill the data.......
- ws = boost::dynamic_pointer_cast<Mantid::DataObjects::Workspace2D>
- (WorkspaceFactory::Instance().create("Workspace2D",nSpectra,spectraLength,spectraLength));
- for(int i = 0; i < nSpectra; i++){
- Mantid::MantidVec& Y = ws->dataY(i);
- for(int j = 0; j < spectraLength; j++){
- Y[j] = data[spectraLength*i+j];
- }
- // Create and fill another vector for the errors, containing sqrt(count)
- Mantid::MantidVec& E = ws->dataE(i);
- std::transform(Y.begin(), Y.end(), E.begin(), dblSqrt);
- ws->setX(i, xData);
-//Xtof ws->getAxis(1)->spectraNo(i)= i;
- ws->getAxis(1)->setValue(i,yData[i]);
- }
- ws->setYUnit("Counts");
-
-
- // assign an x-axis-name
- if((it = dictionary.find("x-axis-name")) == dictionary.end()){
- const std::string xname("no axis name found");
- ws->getAxis(0)->title() = xname;
- } else {
- const std::string xname(it->second);
- ws->getAxis(0)->title() = xname;
- }
-
- addMetaData(fin,ws, (ExperimentInfo_sptr) ws);
-
- // assign the workspace
- setProperty("OutputWorkspace",boost::dynamic_pointer_cast<Workspace>(ws));
+ Mantid::DataObjects::Workspace2D_sptr ws;
+ int nSpectra, spectraLength;
+ std::vector<int> data;
+
+ // read the data first
+ fin->getDataCoerce(data);
+
+ Info inf = fin->getInfo();
+ if(inf.dims.size() == 1){
+ nSpectra = 1;
+ spectraLength = static_cast<int>(inf.dims[0]);
+ } else {
+ nSpectra = static_cast<int>(inf.dims[0]);
+ spectraLength = static_cast<int>(inf.dims[1]);
+ }
+
+ // need to locate x-axis data too.....
+ std::map<std::string,std::string>::const_iterator it;
+ std::vector<double> xData;
+ if((it = dictionary.find("x-axis")) == dictionary.end()){
+ xData.reserve(spectraLength);
+ for(int i = 0; i < spectraLength; i++){
+ xData[i] = (double)i;
+ }
+ } else {
+ if(safeOpenpath(fin,it->second)){
+ fin->getDataCoerce(xData);
+ }
+ }
+
+ // need to locate y-axis data too.....
+ std::vector<double> yData;
+ if((it = dictionary.find("y-axis")) == dictionary.end()){
+ yData.resize(nSpectra);
+ for(int i = 0; i < nSpectra; i++){
+ yData[i] = (double)i;
+ }
+ } else {
+ if(safeOpenpath(fin,it->second)){
+ fin->getDataCoerce(yData);
+ }
+ }
+
+ // fill the data.......
+ ws = boost::dynamic_pointer_cast<Mantid::DataObjects::Workspace2D>
+ (WorkspaceFactory::Instance().create("Workspace2D",nSpectra,spectraLength,spectraLength));
+ for(int i = 0; i < nSpectra; i++){
+ Mantid::MantidVec& Y = ws->dataY(i);
+ for(int j = 0; j < spectraLength; j++){
+ Y[j] = data[spectraLength*i+j];
+ }
+ // Create and fill another vector for the errors, containing sqrt(count)
+ Mantid::MantidVec& E = ws->dataE(i);
+ std::transform(Y.begin(), Y.end(), E.begin(), dblSqrt);
+ ws->setX(i, xData);
+ //Xtof ws->getAxis(1)->spectraNo(i)= i;
+ ws->getAxis(1)->setValue(i,yData[i]);
+ }
+ ws->setYUnit("Counts");
+
+
+ // assign an x-axis-name
+ if((it = dictionary.find("x-axis-name")) == dictionary.end()){
+ const std::string xname("no axis name found");
+ ws->getAxis(0)->title() = xname;
+ } else {
+ const std::string xname(it->second);
+ ws->getAxis(0)->title() = xname;
+ }
+
+ addMetaData(fin,ws, (ExperimentInfo_sptr) ws);
+
+ // assign the workspace
+ setProperty("OutputWorkspace",boost::dynamic_pointer_cast<Workspace>(ws));
}
-
+
void LoadFlexiNexus::loadMD(NeXus::File *fin)
{
- std::vector<double> data;
- std::map<std::string,std::string>::const_iterator it;
-
- // read the data first
- fin->getDataCoerce(data);
-
- Info inf = fin->getInfo();
-/*
- std::vector<MDHistoDimension_sptr> dimensions;
- for(int k = 0; k < inf.dims.size(); ++k)
- {
- dimensions.push_back(makeDimension(fin,k,inf.dims[k]));
- }
-*/
- std::vector<MDHistoDimension_sptr> dimensions;
- for(int k = static_cast<int>(inf.dims.size())-1; k >=0; k--)
- {
- dimensions.push_back(makeDimension(fin,k,static_cast<int>(inf.dims[k])));
- }
+ std::vector<double> data;
- MDHistoWorkspace_sptr ws (new MDHistoWorkspace(dimensions));
+ // read the data first
+ fin->getDataCoerce(data);
-// indexMaker = new size_t[inf.dims.size()];
-// size_t *shitDim = new size_t[inf.dims.size()];
-// for(int i = 0; i < inf.dims.size(); i++){
-// shitDim[i] = inf.dims[i];
-// }
-// Utils::NestedForLoop::SetUpIndexMaker(inf.dims.size(), indexMaker, shitDim);
-// delete shitDim;
+ Info inf = fin->getInfo();
- signal_t *dd = ws->getSignalArray();
- signal_t *ddE= ws->getErrorSquaredArray();
+ std::vector<MDHistoDimension_sptr> dimensions;
+ for(int k = static_cast<int>(inf.dims.size())-1; k >=0; k--)
+ {
+ dimensions.push_back(makeDimension(fin,k,static_cast<int>(inf.dims[k])));
+ }
- // assign tata
- for(size_t i = 0; i < data.size(); i++){
- dd[i] = data[i];
- ddE[i] = dblSqrt(data[i]);
- }
+ MDHistoWorkspace_sptr ws (new MDHistoWorkspace(dimensions));
- if(ws->getNumExperimentInfo() == 0){
- ws->addExperimentInfo((ExperimentInfo_sptr)new ExperimentInfo());
- }
- addMetaData(fin,ws,ws->getExperimentInfo(0));
- // assign the workspace
- setProperty("OutputWorkspace",ws);
+ signal_t *dd = ws->getSignalArray();
+ signal_t *ddE= ws->getErrorSquaredArray();
+
+ // assign data
+ for(size_t i = 0; i < data.size(); i++){
+ dd[i] = data[i];
+ ddE[i] = dblSqrt(data[i]);
+ }
+
+ if(ws->getNumExperimentInfo() == 0){
+ ws->addExperimentInfo((ExperimentInfo_sptr)new ExperimentInfo());
+ }
+ addMetaData(fin,ws,ws->getExperimentInfo(0));
+
+ // assign the workspace
+ setProperty("OutputWorkspace",ws);
- //delete indexMaker;
}
int LoadFlexiNexus::calculateCAddress(int *pos, int* dim, int rank)
{
- int result, mult;
- int i, j;
-
- result = (int)pos[rank - 1];
- for(i = 0; i < rank -1; i++){
- mult = 1;
- for(j = rank -1; j > i; j--){
- mult *= dim[j];
- }
- if((int)pos[i] < dim[i] && (int)pos[i] > 0){
- result += mult*(int)pos[i];
- }
- }
- return result;
+ int result = (int)pos[rank - 1];
+ for(int i = 0; i < rank -1; i++){
+ int mult = 1;
+ for(int j = rank -1; j > i; j--){
+ mult *= dim[j];
+ }
+ if((int)pos[i] < dim[i] && (int)pos[i] > 0){
+ result += mult*(int)pos[i];
+ }
+ }
+ return result;
}
int LoadFlexiNexus::calculateF77Address(int *, int)
{
- // --- Unused code ---
- // int result = 0;
+ // --- Unused code ---
+ // int result = 0;
- // for(int i = 0; i < rank; i++){
- // result += pos[i]*indexMaker[i];
- // }
- // return result;
+ // for(int i = 0; i < rank; i++){
+ // result += pos[i]*indexMaker[i];
+ // }
+ // return result;
return 0;
}
@@ -317,150 +299,145 @@ double LoadFlexiNexus::dblSqrt(double in)
MDHistoDimension_sptr LoadFlexiNexus::makeDimension(NeXus::File *fin, int index, int length)
{
- static char *axisNames[] = {"x","y","z"};
- std::map<std::string,std::string>::const_iterator it;
-
- // get a name
- std::string name(axisNames[index]);
- name += "axis-name";
- if((it = dictionary.find(name)) != dictionary.end() ){
- name = it->second;
- } else {
- name = axisNames[index];
- }
-
- // get axis data
- std::string dataName(axisNames[index]);
- dataName += "-axis";
- std::vector<double> dData;
- if((it = dictionary.find(dataName)) == dictionary.end()){
- for(int i = 0; i < length; i++){
- dData.reserve(length);
- dData[i] = (double)i;
- }
- } else {
- if(safeOpenpath(fin,it->second)){
- fin->getDataCoerce(dData);
- } else {
- for(int i = 0; i < length; i++){
- dData.reserve(length);
- dData[i] = (double)i;
- }
- }
- }
- coord_t min, max, tmp;
- min = static_cast<coord_t>(dData[0]);
- max = static_cast<coord_t>(dData[length-1]);
- if(min > max){
- tmp = max;
- max = min;
- min = tmp;
- g_log.notice("WARNING: swapped axis values on " + name);
- }
- return MDHistoDimension_sptr(new MDHistoDimension(name, name, "", min, max, length));
+ static char *axisNames[] = {"x","y","z"};
+ std::map<std::string,std::string>::const_iterator it;
+
+ // get a name
+ std::string name(axisNames[index]);
+ name += "axis-name";
+ if((it = dictionary.find(name)) != dictionary.end() ){
+ name = it->second;
+ } else {
+ name = axisNames[index];
+ }
+
+ // get axis data
+ std::string dataName(axisNames[index]);
+ dataName += "-axis";
+ std::vector<double> dData;
+ if((it = dictionary.find(dataName)) == dictionary.end()){
+ for(int i = 0; i < length; i++){
+ dData.reserve(length);
+ dData[i] = (double)i;
+ }
+ } else {
+ if(safeOpenpath(fin,it->second)){
+ fin->getDataCoerce(dData);
+ } else {
+ for(int i = 0; i < length; i++){
+ dData.reserve(length);
+ dData[i] = (double)i;
+ }
+ }
+ }
+ coord_t min, max, tmp;
+ min = static_cast<coord_t>(dData[0]);
+ max = static_cast<coord_t>(dData[length-1]);
+ if(min > max){
+ tmp = max;
+ max = min;
+ min = tmp;
+ g_log.notice("WARNING: swapped axis values on " + name);
+ }
+ return MDHistoDimension_sptr(new MDHistoDimension(name, name, "", min, max, length));
+}
+void LoadFlexiNexus::addMetaData(NeXus::File *fin, Workspace_sptr ws, ExperimentInfo_sptr info)
+{
+ std::map<std::string,std::string>::const_iterator it;
+
+ // assign a title
+ if((it = dictionary.find("title")) == dictionary.end()){
+ const std::string title("No title found");
+ ws->setTitle(title);
+ } else {
+ if(it->second.find('/') == it->second.npos){
+ const std::string title(it->second);
+ ws->setTitle(title);
+ } else {
+ if(safeOpenpath(fin,it->second)){
+ const std::string title = fin->getStrData();
+ ws->setTitle(title);
+ }
+ }
+ }
+
+ // assign a sample name
+ std::string sample;
+ if((it = dictionary.find("sample")) == dictionary.end()){
+ sample = "No sample found";
+ } else {
+ if(it->second.find('/') == it->second.npos){
+ sample = it->second;
+ } else {
+ if(safeOpenpath(fin,it->second)) {
+ sample = fin->getStrData();
+ } else {
+ sample = "Sampe plath not found";
+ }
+ }
+ }
+ info->mutableSample().setName(sample);
+
+ /**
+ * load all the extras into the Run information
+ */
+ Run& r = info->mutableRun();
+ std::set<std::string> specialMap = populateSpecialMap();
+ for(it = dictionary.begin(); it != dictionary.end(); ++it){
+ if(specialMap.find(it->first) == specialMap.end()){
+ // not in specials!
+ if(it->second.find('/') == it->second.npos){
+ r.addProperty(it->first, it->second, true);
+ } else {
+ if(safeOpenpath(fin, it->second)){
+ NeXus::Info inf = fin->getInfo();
+ if(inf.type == ::NeXus::CHAR){
+ std::string data = fin->getStrData();
+ r.addProperty(it->first,data, true);
+ } else if(inf.type == ::NeXus::FLOAT32 || inf.type == ::NeXus::FLOAT64){
+ std::vector<double> data;
+ fin->getDataCoerce(data);
+ r.addProperty(it->first,data, true);
+ } else {
+ std::vector<int> data;
+ fin->getDataCoerce(data);
+ r.addProperty(it->first,data, true);
+ }
+ }
+ }
+ }
+ }
+
+
}
- void LoadFlexiNexus::addMetaData(NeXus::File *fin, Workspace_sptr ws, ExperimentInfo_sptr info)
- {
- std::map<std::string,std::string>::const_iterator it;
-
- // assign a title
- if((it = dictionary.find("title")) == dictionary.end()){
- const std::string title("No title found");
- ws->setTitle(title);
- } else {
- if(it->second.find('/') == it->second.npos){
- const std::string title(it->second);
- ws->setTitle(title);
- } else {
- if(safeOpenpath(fin,it->second)){
- const std::string title = fin->getStrData();
- ws->setTitle(title);
- }
- }
- }
-
- // assign a sample name
- std::string sample;
- if((it = dictionary.find("sample")) == dictionary.end()){
- sample = "No sample found";
- } else {
- if(it->second.find('/') == it->second.npos){
- sample = it->second;
- } else {
- if(safeOpenpath(fin,it->second)) {
- sample = fin->getStrData();
- } else {
- sample = "Sampe plath not found";
- }
- }
- }
- info->mutableSample().setName(sample);
-
- /**
- * load all the extras into the Run information
- */
- Run& r = info->mutableRun();
- std::set<std::string> specialMap = populateSpecialMap();
- for(it = dictionary.begin(); it != dictionary.end(); ++it){
- if(specialMap.find(it->first) == specialMap.end()){
- // not in specials!
- if(it->second.find('/') == it->second.npos){
- r.addProperty(it->first, it->second, true);
- } else {
- if(safeOpenpath(fin, it->second)){
- NeXus::Info inf = fin->getInfo();
- if(inf.type == ::NeXus::CHAR){
- std::string data = fin->getStrData();
- r.addProperty(it->first,data, true);
- } else if(inf.type == ::NeXus::FLOAT32 || inf.type == ::NeXus::FLOAT64){
- std::vector<double> data;
- fin->getDataCoerce(data);
- r.addProperty(it->first,data, true);
- } else {
- std::vector<int> data;
- fin->getDataCoerce(data);
- r.addProperty(it->first,data, true);
- }
- }
- }
- }
- }
-
- // const std::vector<Kernel::Property *> props = r.getProperties();
- // for(int i = 0; i < props.size(); i++){
- // Property *prop = props[i];
- // getLogger().error("Found property: " + prop->name() + " with value: " + prop->value());
- // }
-
- }
std::set<std::string> LoadFlexiNexus::populateSpecialMap()
{
- std::set<std::string> specialMap;
-
- specialMap.insert("title");
- specialMap.insert("data");
- specialMap.insert("sample");
- specialMap.insert("x-axis");
- specialMap.insert("x-axis-name");
- specialMap.insert("y-axis");
- specialMap.insert("y-axis-name");
- specialMap.insert("z-axis");
- specialMap.insert("z-axis-name");
-
- return specialMap;
+ std::set<std::string> specialMap;
+
+ specialMap.insert("title");
+ specialMap.insert("data");
+ specialMap.insert("sample");
+ specialMap.insert("x-axis");
+ specialMap.insert("x-axis-name");
+ specialMap.insert("y-axis");
+ specialMap.insert("y-axis-name");
+ specialMap.insert("z-axis");
+ specialMap.insert("z-axis-name");
+
+ return specialMap;
}
int LoadFlexiNexus::safeOpenpath(NeXus::File *fin, std::string path)
{
- try {
- fin->openPath(path);
- } catch(NeXus::Exception &){
- getLogger().error("NeXus path " + path + " kaputt");
- return 0;
- }
- return 1;
+ try {
+ fin->openPath(path);
+ } catch(NeXus::Exception &){
+ getLogger().error("NeXus path " + path + " kaputt");
+ return 0;
+ }
+ return 1;
}
void LoadFlexiNexus::initDocs()
{
- this->setWikiSummary("Loads a NeXus file directed by a dictionary file");
+ this->setWikiSummary("Loads a NeXus file directed by a dictionary file");
}
diff --git a/Code/Mantid/Framework/SINQ/src/PoldiAutoCorrelation5.cpp b/Code/Mantid/Framework/SINQ/src/PoldiAutoCorrelation5.cpp
index ac95cd9a0ebb38ac2b2a7392820884022cef123b..f025343fbde09c25e3da0e47320ae1a1459193d0 100644
--- a/Code/Mantid/Framework/SINQ/src/PoldiAutoCorrelation5.cpp
+++ b/Code/Mantid/Framework/SINQ/src/PoldiAutoCorrelation5.cpp
@@ -441,11 +441,10 @@ void PoldiAutoCorrelation5::exec()
int iicmin = static_cast<int>(int(cmin)%nb_time_elmt); // modulo for the equivalent int
int iicmax = static_cast<int>(int(cmax)%nb_time_elmt);
- double I(0.0), delta_q(0.0);
if(iicmax>iicmin){
for(int k = iicmin; k<iicmax; k++){
- delta_q = min(k+1,icmax) - max(k,icmin); // range hight limit - range low limit
- I = nhe3(static_cast<int>(wire),k);
+ double delta_q = min(k+1,icmax) - max(k,icmin); // range hight limit - range low limit
+ double I = nhe3(static_cast<int>(wire),k);
cmess[slit] += I*delta_q/float(max(1.,I));
csigm[slit] += delta_q/float(max(1.,I));
}
@@ -527,10 +526,8 @@ void PoldiAutoCorrelation5::exec()
}
g_log.debug() << "_Poldi - dint " << dint[5] << " " << dint [100] << std::endl;
- vector<double> qi; qi.resize(n_d_space);
vector<double> qj; qj.resize(n_d_space);
for(size_t i=0; i<n_d_space; i++){
- qi[i] = 2.*M_PI/(dspace1+float(i)*dspace2);
qj[n_d_space-1-i] = 2.*M_PI/(dspace1+float(i)*dspace2);
}
diff --git a/Code/Mantid/Framework/SINQ/src/ProjectMD.cpp b/Code/Mantid/Framework/SINQ/src/ProjectMD.cpp
index 3c8e0fbb908fdc146dba6c03f5450159c1ff4a6c..e6981ce0b09a731025a46cf70a130fbfcd476aaa 100644
--- a/Code/Mantid/Framework/SINQ/src/ProjectMD.cpp
+++ b/Code/Mantid/Framework/SINQ/src/ProjectMD.cpp
@@ -172,8 +172,7 @@ void ProjectMD::putValue(IMDHistoWorkspace_sptr ws, int dim[], double value)
void ProjectMD::sumData(IMDHistoWorkspace_sptr inWS, IMDHistoWorkspace_sptr outWS,
int *sourceDim, int *targetDim, int targetDimCount, int dimNo, int start, int end, int currentDim)
{
- int i, length;
- double val, sumVal = 0;
+ double sumVal = 0;
boost::shared_ptr<const IMDDimension> dimi;
/*
@@ -181,11 +180,11 @@ void ProjectMD::sumData(IMDHistoWorkspace_sptr inWS, IMDHistoWorkspace_sptr outW
we actually do the sums...
*/
if (currentDim == static_cast<int>(inWS->getNumDims())) {
- length = end - start;
+ int length = end - start;
sumVal = getValue(outWS, targetDim);
- for (i = 0; i < length; i++) {
+ for (int i = 0; i < length; i++) {
sourceDim[dimNo] = start + i;
- val = getValue(inWS, sourceDim);
+ double val = getValue(inWS, sourceDim);
sumVal += val;
}
putValue(outWS, targetDim, sumVal);
@@ -203,8 +202,7 @@ void ProjectMD::sumData(IMDHistoWorkspace_sptr inWS, IMDHistoWorkspace_sptr outW
loop over all values of the non summed dimension
*/
dimi = inWS->getDimension(currentDim);
- //std::cout << " dim " << currentDim << " val " << dimi->getNBins() << std::endl;
- for (i = 0; i < static_cast<int>(dimi->getNBins()); i++) {
+ for (int i = 0; i < static_cast<int>(dimi->getNBins()); i++) {
/*
the problem here is that we have to jump over the summed
dimension here. This why we have to maintain a separate
diff --git a/Code/Mantid/Framework/SINQ/src/SINQHMListener.cpp b/Code/Mantid/Framework/SINQ/src/SINQHMListener.cpp
index 9e09f1076825a47aff283a480463d109a2bbe4c5..0dac9e1c7dfdbe3b81a71cdafe12eb90c637afc0 100644
--- a/Code/Mantid/Framework/SINQ/src/SINQHMListener.cpp
+++ b/Code/Mantid/Framework/SINQ/src/SINQHMListener.cpp
@@ -141,7 +141,6 @@ void SINQHMListener::loadDimensions()
std::istream& istr = httpRequest("/sinqhm.xml");
std::stringstream oss;
Poco::StreamCopier::copyStream(istr,oss);
- //std::cout << oss.str() << std::endl;
DOMParser xmlParser;
Document *doc;
@@ -168,25 +167,14 @@ void SINQHMListener::loadDimensions()
dim[i] = atoi(sdim.c_str());
}
-// std::cout << "Dims after parsing sinqhm.xml: rank = " << rank << " dims =";
-// for(int i = 0; i < rank; i++){
-// std::cout << dim[i] << ", ";
-// }
-// std::cout << std::endl;
doSpecialDim();
-// std::cout << "Dims after doSpecialDim: rank = " << rank << " dims =";
-// for(int i = 0; i < rank; i++){
-// std::cout << dim[i] << ", ";
-// }
-// std::cout << std::endl;
-
-}
+ }
std::istream& SINQHMListener::httpRequest(std::string path)
{
- std::cout << path << std::endl;
+
HTTPRequest req(HTTPRequest::HTTP_GET,path, HTTPMessage::HTTP_1_1);
req.setKeepAlive(true);
@@ -215,13 +203,10 @@ void SINQHMListener::doSpecialDim()
}
int SINQHMListener::calculateCAddress(coord_t *pos)
{
- int result, mult;
- int i, j;
-
- result = (int)pos[rank - 1];
- for(i = 0; i < rank -1; i++){
- mult = 1;
- for(j = rank -1; j > i; j--){
+ int result = (int)pos[rank - 1];
+ for(int i = 0; i < rank -1; i++){
+ int mult = 1;
+ for(int j = rank -1; j > i; j--){
mult *= dim[j];
}
if((int)pos[i] < dim[i] && (int)pos[i] > 0){
@@ -260,8 +245,6 @@ void SINQHMListener::readHMData(IMDHistoWorkspace_sptr ws)
pathBuffer << "/admin/readhmdata.egi?bank=0&start=0&end=" << length;
std::istream& istr = httpRequest(pathBuffer.str());
- //std::cout << "Content-length " << response.getContentLength() << ", Content-type: " << response.getContentType() << std::endl;
-
data = (int *)malloc(length*sizeof(int));
if(data == NULL){
throw std::runtime_error("Out of memory reading HM data");
@@ -272,10 +255,8 @@ void SINQHMListener::readHMData(IMDHistoWorkspace_sptr ws)
}
for(int i = 0; i < length ; i++){
data[i] = ntohl(data[i]);
- dataSum += data[i];
}
- //std::cout << "DataSum = " << dataSum << std::endl;
-
+
/**
* recurseDim also takes care of converting from C to F77 storage order. Because
* Mantid MD arrays are in F77 storage order. Only the holy cucumber knows why....
diff --git a/Code/Mantid/Framework/SINQ/src/SliceMDHisto.cpp b/Code/Mantid/Framework/SINQ/src/SliceMDHisto.cpp
index ff784b8423be252a499fc7a8dc5a58f4457352a6..53162cba23f42783142d0c4bd88f40572f9f3845 100644
--- a/Code/Mantid/Framework/SINQ/src/SliceMDHisto.cpp
+++ b/Code/Mantid/Framework/SINQ/src/SliceMDHisto.cpp
@@ -108,8 +108,6 @@ void SliceMDHisto::cutData(Mantid::API::IMDHistoWorkspace_sptr inWS,
std::vector<int> start, std::vector<int> end, unsigned int dim)
{
int length;
- signal_t val;
- size_t idx;
boost::shared_ptr<const IMDDimension> inDim = inWS->getDimension(dim);
boost::shared_ptr<const IMDDimension> outDim = outWS->getDimension(dim);
@@ -118,9 +116,9 @@ void SliceMDHisto::cutData(Mantid::API::IMDHistoWorkspace_sptr inWS,
MDHistoWorkspace_sptr outWSS = boost::dynamic_pointer_cast<MDHistoWorkspace>(outWS);
for(int i = 0; i < length; i++){
sourceDim[dim] = inDim->getX(start[dim]+i);
- val = inWS->getSignalAtCoord(sourceDim, static_cast<Mantid::API::MDNormalization>(0));
+ signal_t val = inWS->getSignalAtCoord(sourceDim, static_cast<Mantid::API::MDNormalization>(0));
targetDim[dim] = outDim->getX(i);
- idx = outWSS->getLinearIndexAtCoord(targetDim);
+ size_t idx = outWSS->getLinearIndexAtCoord(targetDim);
outWS->setSignalAt(idx,val);
outWS->setErrorSquaredAt(idx,val);
}
diff --git a/Code/Mantid/Framework/ScriptRepository/src/ScriptRepositoryImpl.cpp b/Code/Mantid/Framework/ScriptRepository/src/ScriptRepositoryImpl.cpp
index 895082c0734ce72d261dc7a645ef1343a43714cc..f3c8a1d6f5cbcfc0e7abce4fe66e4a06086b4443 100644
--- a/Code/Mantid/Framework/ScriptRepository/src/ScriptRepositoryImpl.cpp
+++ b/Code/Mantid/Framework/ScriptRepository/src/ScriptRepositoryImpl.cpp
@@ -937,8 +937,7 @@ namespace API
// analyze the answer from the server, to see if the file was removed or not.
std::string info;
- std::string detail;
- std::string published_date;
+ std::string detail;
ptree pt;
try{
read_json(answer, pt);
diff --git a/Code/Mantid/Framework/TestHelpers/src/WorkspaceCreationHelper.cpp b/Code/Mantid/Framework/TestHelpers/src/WorkspaceCreationHelper.cpp
index 0639a060a5a3ff70095d6d21bb9820c026ee2632..1adea60151ed21f2e9d926cf553bc238f01e44be 100644
--- a/Code/Mantid/Framework/TestHelpers/src/WorkspaceCreationHelper.cpp
+++ b/Code/Mantid/Framework/TestHelpers/src/WorkspaceCreationHelper.cpp
@@ -527,9 +527,9 @@ namespace WorkspaceCreationHelper
retVal->initialize(numPixels,1,1);
//Make fake events
- size_t workspaceIndex = 0;
if (eventPattern) // 0 == no events
{
+ size_t workspaceIndex = 0;
for (int pix= start_at_pixelID+0; pix < start_at_pixelID+numPixels; pix++)
{
EventList & el = retVal->getEventList(workspaceIndex);
diff --git a/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp b/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
index 5cb93e86ca6859fa5c8518b7e4501d603b4e36e9..c2e62ffb74e0f859fb2a4616a13cbb40ed29680d 100644
--- a/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
+++ b/Code/Mantid/Framework/WorkflowAlgorithms/src/AlignAndFocusPowder.cpp
@@ -537,11 +537,10 @@ namespace WorkflowAlgorithms
if (ews)
{
size_t numhighevents = ews->getNumberEvents();
- size_t numlowevents = 0;
if (m_processLowResTOF)
{
EventWorkspace_sptr lowes = boost::dynamic_pointer_cast<EventWorkspace>(m_lowResW);
- numlowevents = lowes->getNumberEvents();
+ size_t numlowevents = lowes->getNumberEvents();
g_log.information() << "Number of high TOF events = " << numhighevents << "; "
<< "Number of low TOF events = " << numlowevents << ".\n";
}
diff --git a/Code/Mantid/MantidPlot/src/ApplicationWindow.cpp b/Code/Mantid/MantidPlot/src/ApplicationWindow.cpp
index 8fa151c3cd4416f8fa665b8da6703dec97175342..5a95a7ac711f973c51f15eef891f34b6c042ba6a 100644
--- a/Code/Mantid/MantidPlot/src/ApplicationWindow.cpp
+++ b/Code/Mantid/MantidPlot/src/ApplicationWindow.cpp
@@ -2933,7 +2933,7 @@ void ApplicationWindow::setPreferences(Graph* g)
g->enableAxis(i, show);
if (show)
{
- ScaleDraw *sd = (ScaleDraw *)g->plotWidget()->axisScaleDraw (i);
+ ScaleDraw *sd = static_cast<ScaleDraw *>(g->plotWidget()->axisScaleDraw (i));
sd->enableComponent(QwtAbstractScaleDraw::Labels, d_show_axes_labels[i]);
sd->setSpacing(d_graph_tick_labels_dist);
if (i == QwtPlot::yRight && !d_show_axes_labels[i])
@@ -11626,8 +11626,8 @@ Graph* ApplicationWindow::openGraph(ApplicationWindow* app, MultiLayer *plot,
int plotType = curve[3].toInt();
Table *w = app->table(curve[2]);
- PlotCurve *c = NULL;
if (w){
+ PlotCurve *c = NULL;
if(plotType == Graph::VectXYXY || plotType == Graph::VectXYAM){
QStringList colsList;
colsList<<curve[2]; colsList<<curve[20]; colsList<<curve[21];
diff --git a/Code/Mantid/MantidPlot/src/Fit.cpp b/Code/Mantid/MantidPlot/src/Fit.cpp
index 64c3b9970b5865f670a48dafe9517caa6473ea96..1319d10708d38986fcb78dc88c31a4b21e4d6b67 100644
--- a/Code/Mantid/MantidPlot/src/Fit.cpp
+++ b/Code/Mantid/MantidPlot/src/Fit.cpp
@@ -155,7 +155,7 @@ gsl_multimin_fminimizer * Fit::fitSimplex(gsl_multimin_function f, int &iteratio
gsl_multimin_fminimizer *s_min = gsl_multimin_fminimizer_alloc (T, f.n);
status = gsl_multimin_fminimizer_set (s_min, &f, d_param_init, ss);
- double size;
+
size_t iter = 0;
bool inRange = true;
for (int i=0; i<d_p; i++){
@@ -187,7 +187,7 @@ gsl_multimin_fminimizer * Fit::fitSimplex(gsl_multimin_function f, int &iteratio
for (int i=0; i<d_p; i++)
d_results[i] = gsl_vector_get(s_min->x, i);
- size = gsl_multimin_fminimizer_size (s_min);
+ double size = gsl_multimin_fminimizer_size (s_min);
status = gsl_multimin_test_size (size, d_tolerance);
}
while (inRange && status == GSL_CONTINUE && (int)iter < d_max_iterations);
diff --git a/Code/Mantid/MantidPlot/src/FunctionCurve.cpp b/Code/Mantid/MantidPlot/src/FunctionCurve.cpp
index de084e385d16db48f4158832b22b3bbe279eecc2..f38d9648ff5ffdd344ec4aa3eaaa4482a3dee443 100644
--- a/Code/Mantid/MantidPlot/src/FunctionCurve.cpp
+++ b/Code/Mantid/MantidPlot/src/FunctionCurve.cpp
@@ -247,6 +247,7 @@ void FunctionCurve::loadData(int points)
for (int i = 0; i<points; i++ ){
X[i]=xparser.Eval();
Y[i]=yparser.Eval();
+ //cppcheck-suppress unreadVariable
par+=step;
}
} catch(mu::ParserError &) {
diff --git a/Code/Mantid/MantidPlot/src/FunctionDialog.cpp b/Code/Mantid/MantidPlot/src/FunctionDialog.cpp
index b30c95598829e30ce8692adcca6212a7c41a9169..0c03563e20c5a61fcd9837f39799d1569b4026d9 100644
--- a/Code/Mantid/MantidPlot/src/FunctionDialog.cpp
+++ b/Code/Mantid/MantidPlot/src/FunctionDialog.cpp
@@ -308,7 +308,7 @@ void FunctionDialog::acceptFunction()
parser.DefineVar("x", &x);
parser.SetExpr(formula.ascii());
parser.Eval();
-
+ // cppcheck-suppress unreadVariable
x=end;
parser.Eval();
}
@@ -389,7 +389,7 @@ void FunctionDialog::acceptParametric()
parser.DefineVar((boxParameter->text()).ascii(), ¶meter);
parser.SetExpr(xformula.ascii());
parser.Eval();
-
+ // cppcheck-suppress unreadVariable
parameter=end;
parser.Eval();
}
@@ -406,7 +406,7 @@ void FunctionDialog::acceptParametric()
parser.DefineVar((boxParameter->text()).ascii(), ¶meter);
parser.SetExpr(yformula.ascii());
parser.Eval();
-
+ // cppcheck-suppress unreadVariable
parameter=end;
parser.Eval();
}
@@ -487,7 +487,7 @@ void FunctionDialog::acceptPolar()
parser.DefineVar((boxPolarParameter->text()).ascii(), ¶meter);
parser.SetExpr(rformula.ascii());
parser.Eval();
-
+ // cppcheck-suppress unreadVariable
parameter=end;
parser.Eval();
}
@@ -504,7 +504,7 @@ void FunctionDialog::acceptPolar()
parser.DefineVar((boxPolarParameter->text()).ascii(), ¶meter);
parser.SetExpr(tformula.ascii());
parser.Eval();
-
+ // cppcheck-suppress unreadVariable
parameter=end;
parser.Eval();
}
diff --git a/Code/Mantid/MantidPlot/src/Mantid/AlgorithmHistoryWindow.cpp b/Code/Mantid/MantidPlot/src/Mantid/AlgorithmHistoryWindow.cpp
index 8cbcbffc34f2cedad6922e08ea66d6fe39acdbd4..472f9c5d5f2231af5bc0555d1b0101a08d98a3c7 100644
--- a/Code/Mantid/MantidPlot/src/Mantid/AlgorithmHistoryWindow.cpp
+++ b/Code/Mantid/MantidPlot/src/Mantid/AlgorithmHistoryWindow.cpp
@@ -514,8 +514,6 @@ void AlgHistoryProperties::displayAlgHistoryProperties()
{
QStringList propList;
std::string sProperty;
- bool bisDefault;
- int nDirection=0;
for ( std::vector<Mantid::Kernel::PropertyHistory>::const_iterator pIter = m_Histprop.begin();
pIter != m_Histprop.end(); ++pIter )
{
@@ -524,11 +522,11 @@ void AlgHistoryProperties::displayAlgHistoryProperties()
sProperty=(*pIter).value();
propList.append(sProperty.c_str());
- bisDefault=(*pIter).isDefault();
+ bool bisDefault=(*pIter).isDefault();
bisDefault? (sProperty="Yes"):(sProperty="No");
propList.append(sProperty.c_str());
- nDirection=(*pIter).direction();
+ int nDirection=(*pIter).direction();
switch(nDirection)
{
case 0:{sProperty="Input";break;}
diff --git a/Code/Mantid/MantidPlot/src/Mantid/InstrumentWidget/UnwrappedSurface.cpp b/Code/Mantid/MantidPlot/src/Mantid/InstrumentWidget/UnwrappedSurface.cpp
index bcb02151a4403156363158c563677c3663d05a41..c5a7b27f0c434799c8d31049b576e1ed396c961b 100644
--- a/Code/Mantid/MantidPlot/src/Mantid/InstrumentWidget/UnwrappedSurface.cpp
+++ b/Code/Mantid/MantidPlot/src/Mantid/InstrumentWidget/UnwrappedSurface.cpp
@@ -50,7 +50,7 @@ UnwrappedDetector::UnwrappedDetector(const UnwrappedDetector & other)
}
/** Assignment operator */
-const UnwrappedDetector & UnwrappedDetector::operator=(const UnwrappedDetector & other)
+UnwrappedDetector & UnwrappedDetector::operator=(const UnwrappedDetector & other)
{
u = other.u;
v = other.v;
diff --git a/Code/Mantid/MantidPlot/src/Mantid/InstrumentWidget/UnwrappedSurface.h b/Code/Mantid/MantidPlot/src/Mantid/InstrumentWidget/UnwrappedSurface.h
index 69e5050c1f940f043a7f369f888a79e85dfa8edf..b4318e0d05b04432d9915d8dc4de72bf45627b23 100644
--- a/Code/Mantid/MantidPlot/src/Mantid/InstrumentWidget/UnwrappedSurface.h
+++ b/Code/Mantid/MantidPlot/src/Mantid/InstrumentWidget/UnwrappedSurface.h
@@ -45,7 +45,7 @@ public:
boost::shared_ptr<const Mantid::Geometry::IDetector> det
);
UnwrappedDetector(const UnwrappedDetector & other);
- const UnwrappedDetector & operator=(const UnwrappedDetector & other);
+ UnwrappedDetector & operator=(const UnwrappedDetector & other);
unsigned char color[3]; ///< red, green, blue colour components (0 - 255)
double u; ///< horizontal "unwrapped" coordinate
double v; ///< vertical "unwrapped" coordinate
diff --git a/Code/Mantid/MantidPlot/src/NonLinearFit.cpp b/Code/Mantid/MantidPlot/src/NonLinearFit.cpp
index a395ed0bda84810f83ae20f19a032e3b3419a820..b7e433b36bfaad0fbcbe1723c0475dc3eb2c1eb5 100644
--- a/Code/Mantid/MantidPlot/src/NonLinearFit.cpp
+++ b/Code/Mantid/MantidPlot/src/NonLinearFit.cpp
@@ -66,7 +66,7 @@ void NonLinearFit::init()
d_formula = QString::null;
d_f = user_f;
d_df = user_df;
- d_fdf = user_fdf;
+ d_fdf = user_fdf;
d_fsimplex = user_d;
d_explanation = tr("Non-linear Fit");
d_fit_type = User;
@@ -75,14 +75,14 @@ void NonLinearFit::init()
void NonLinearFit::setFormula(const QString& s)
{
if (s.isEmpty()){
- QMessageBox::critical((ApplicationWindow *)parent(), tr("MantidPlot - Input function error"),
+ QMessageBox::critical(static_cast<ApplicationWindow *>(parent()), tr("MantidPlot - Input function error"),
tr("Please enter a valid non-empty expression! Operation aborted!"));
d_init_err = true;
return;
}
if (!d_p){
- QMessageBox::critical((ApplicationWindow *)parent(), tr("MantidPlot - Fit Error"),
+ QMessageBox::critical(static_cast<ApplicationWindow *>(parent()), tr("MantidPlot - Fit Error"),
tr("There are no parameters specified for this fit operation. Please define a list of parameters first!"));
d_init_err = true;
return;
@@ -107,7 +107,7 @@ void NonLinearFit::setFormula(const QString& s)
}
catch(mu::ParserError &e)
{
- QMessageBox::critical((ApplicationWindow *)parent(), tr("MantidPlot - Input function error"), QString::fromStdString(e.GetMsg()));
+ QMessageBox::critical(static_cast<ApplicationWindow *>(parent()), tr("MantidPlot - Input function error"), QString::fromStdString(e.GetMsg()));
d_init_err = true;
return;
}
@@ -119,7 +119,7 @@ void NonLinearFit::setFormula(const QString& s)
void NonLinearFit::setParametersList(const QStringList& lst)
{
if (lst.count() < 1){
- QMessageBox::critical((ApplicationWindow *)parent(), tr("MantidPlot - Fit Error"),
+ QMessageBox::critical(static_cast<ApplicationWindow *>(parent()), tr("MantidPlot - Fit Error"),
tr("You must provide a list containing at least one parameter for this type of fit. Operation aborted!"));
d_init_err = true;
return;
diff --git a/Code/Mantid/MantidPlot/src/OpenProjectDialog.cpp b/Code/Mantid/MantidPlot/src/OpenProjectDialog.cpp
index f1ebb2efd780c05ad772172029e2e77f3c66a3e6..b14b20e7bb419e437397f7f63ce1eed4e736a1fe 100644
--- a/Code/Mantid/MantidPlot/src/OpenProjectDialog.cpp
+++ b/Code/Mantid/MantidPlot/src/OpenProjectDialog.cpp
@@ -90,7 +90,7 @@ void OpenProjectDialog::updateAdvancedOptions (const QString & filter)
void OpenProjectDialog::closeEvent(QCloseEvent* e)
{
if (isExtendable()){
- ApplicationWindow *app = (ApplicationWindow *)this->parent();
+ ApplicationWindow *app = static_cast<ApplicationWindow *>(this->parent());
if (app)
app->d_extended_open_dialog = this->isExtended();
}
diff --git a/Code/Mantid/MantidPlot/src/Plot.cpp b/Code/Mantid/MantidPlot/src/Plot.cpp
index 190cd097e51d2d493c89bdaead8d1c259c6961c2..a4a66cbea9534d9a7d9d1e6011adb3269788b9d8 100644
--- a/Code/Mantid/MantidPlot/src/Plot.cpp
+++ b/Code/Mantid/MantidPlot/src/Plot.cpp
@@ -186,8 +186,8 @@ void Plot::printCanvas(QPainter *painter, const QRect&, const QRect &canvasRect,
// print texts
QObjectList lst = children();
foreach(QObject *o, lst){
- if (o->inherits("LegendWidget") && !((QWidget *)o)->isHidden())
- ((LegendWidget *)o)->print(painter, map);
+ if (o->inherits("LegendWidget") && !(static_cast<QWidget *>(o))->isHidden())
+ (static_cast<LegendWidget *>(o))->print(painter, map);
}
}
@@ -207,7 +207,7 @@ void Plot::drawItems (QPainter *painter, const QRect &rect,
if (!axisEnabled(i))
continue;
- const ScaleEngine *sc_engine = (const ScaleEngine *)axisScaleEngine(i);
+ const ScaleEngine *sc_engine = static_cast<const ScaleEngine *>(axisScaleEngine(i));
/*const QwtScaleEngine *qwtsc_engine=axisScaleEngine(i);
const ScaleEngine *sc_engine =dynamic_cast<const ScaleEngine*>(qwtsc_engine);
if(sc_engine!=NULL)