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Fixed some compilation error. Refs #6968.
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@wdzhou
wdzhou committed Aug 13, 2013
1 parent fcaf70b commit a072985
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Showing 2 changed files with 32 additions and 14 deletions.
5 changes: 4 additions & 1 deletion Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/SaveGSASInstrumentFile.h
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Original file line number Diff line number Diff line change
Expand Up @@ -106,7 +106,7 @@ class DLLExport SaveGSASInstrumentFile : public API::Algorithm
ChopperConfiguration_sptr setupNOMConstants(int intfrequency);

/// Parse profile table workspace to a map
void parseProfileTableWorkspace(DataObjects::TableWorkspace_sptr ws, std::map<unsigned int, std::map<std::string, double> > profilemap)
void parseProfileTableWorkspace(DataObjects::TableWorkspace_sptr ws, std::map<unsigned int, std::map<std::string, double> > profilemap);

/// Convert to GSAS instrument file
void convertToGSAS(std::vector<unsigned int> banks, std::string gsasinstrfilename);
Expand Down Expand Up @@ -171,6 +171,9 @@ class DLLExport SaveGSASInstrumentFile : public API::Algorithm
std::vector<double> m_galpha;
std::vector<double> m_gbeta;

std::vector<double> m_mndsp;
std::vector<double> m_mxtofs;

};

/// Examine whether str1's last few characters are same as str2
Expand Down
41 changes: 28 additions & 13 deletions Code/Mantid/Framework/Algorithms/src/SaveGSASInstrumentFile.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -446,19 +446,29 @@ namespace Algorithms
void SaveGSASInstrumentFile::makeParameterConsistent()
{
// Parse input profile table workspace
map<string, double> profileparammap = parseProfileTableWorkspace(m_inpWS);
map<unsigned int, map<string, double> > bankprofileparammap;
parseProfileTableWorkspace(m_inpWS, bankprofileparammap);

// Make input parameters consistent
for (size_t i = 0; i < m_bankIDsOutput.size(); ++i)
{
unsigned int bankid = m_bankIDsOutput[i];
map<unsigned int, map<string, double> >::iterator biter = bankprofileparammap.find(bankid);
if (biter == bankprofileparammap.end())
{
stringstream errss;
errss << "Bank " << bankid << " does not exist in input workspace. ";
g_log.error(errss.str());
throw runtime_error(errss.str());
}

if (m_2theta != EMPTY_DBL())
{
m_configuration->setParameter(bankid, "2Theta", m_2theta);
}
else
{
double tth = getValueFromMap(profileparammap, "twotheta");
double tth = getValueFromMap(biter->second, "twotheta");
if (tth != EMPTY_DBL())
m_configuration->setParameter(bankid,"2Theta", tth);
}
Expand Down Expand Up @@ -508,7 +518,7 @@ namespace Algorithms
{
double tmpdbl;
tmprow >> tmpdbl;
vec_maptemp[icl].insert(make_pair(parname, tmpdbl));
vec_maptemp[icol].insert(make_pair(parname, tmpdbl));
}
}
else
Expand All @@ -528,10 +538,10 @@ namespace Algorithms
for (size_t i = 0; i < vecbankindex.size(); ++i)
{
unsigned int bankid = vecbankindex[i];
profilemap.insert(make_pair(bankid), vec_maptemp[i]);
profilemap.insert(make_pair(bankid, vec_maptemp[i]));
}

return profilemap;
return;
}

//----------------------------------------------------------------------------------------------
Expand Down Expand Up @@ -679,7 +689,7 @@ namespace Algorithms
vector<double> gdt(90);
vector<double> gpkX(90, 0.); // ratio (n) b/w thermal and epithermal neutron

double twotheta = m_configuration->getParameter(bankid, "TwoTheta");
// double twotheta = m_configuration->getParameter(bankid, "TwoTheta");
double mx = m_configuration->getParameter(bankid, "Tcross");
double mxb = m_configuration->getParameter(bankid, "Width");

Expand Down Expand Up @@ -789,6 +799,10 @@ namespace Algorithms
*/
void SaveGSASInstrumentFile::writePRM(unsigned int bankid, size_t numbanks, std::string prmfilename, bool isfirstbank)
{
// FIXME - Figure out how to set up m_mndsp and m_mxtofs
if (m_mndsp.size() == 0 || m_mxtofs.size() == 0)
throw runtime_error("Implement the setup on m_mndsp and m_mxtof ASAP.");

double zero = m_configuration->getParameter(bankid, "Zero");
double dtt1 = m_configuration->getParameter(bankid, "Dtt1");
double alph0 = m_configuration->getParameter(bankid, "Alph0");
Expand Down Expand Up @@ -822,7 +836,8 @@ namespace Algorithms

// FIXME - Use fprintf() after test is done

int randint = randint(10001,99999);
// int randint = randint(10001,99999);
int randint = 10001 + (rand() % (int)(99999 - 10001 + 1));
double sig0 = getProfileParameterValue(bankid, "Sig0");
double sig1 = getProfileParameterValue(bankid, "Sig0");
double sig2 = getProfileParameterValue(bankid, "Sig2");
Expand All @@ -833,7 +848,7 @@ namespace Algorithms
printf("INS %2d ICONS%10.3f%10.3f%10.3f%10.3f%5d%10.3f\n", bankid, instC*1.00009, 0.0, zero,0.0, 0, 0.0);
printf("INS %2dBNKPAR%10.3f%10.3f%10.3f%10.3f%10.3f%5d%5d\n", bankid, m_L2, twotheta, 0., 0., 0.2, 1, 1);
printf("INS %2dBAKGD 1 4 Y 0 Y\n", bankid);
printf("INS %2dI HEAD %s\n", bankid, titleline);
printf("INS %2dI HEAD %s\n", bankid, titleline.c_str());
printf("INS %2dI ITYP%5d%10.4f%10.4f%10i\n", bankid, 0, m_mndsp[bankid]*0.001*instC, m_mxtofs[bankid], randint);
printf("INS %2dINAME powgen \n", bankid);
printf("INS %2dPRCF1 %5d%5d%10.5f\n", bankid, -3, 21, 0.002);
Expand All @@ -847,7 +862,7 @@ namespace Algorithms

for (size_t k = 0; k < 90; ++k)
{
printf("INS %2dPAB3%2i%10.5f%10.5f%10.5f%10.5f\n", bankid, k+1, m_gdsp[k],
printf("INS %2dPAB3%2d%10.5f%10.5f%10.5f%10.5f\n", bankid, static_cast<int>(k)+1, m_gdsp[k],
m_gdt[k], m_galpha[k], m_gbeta[k]);
}
printf("INS %2dPRCF2 %5i%5i%10.5f\n", bankid, -4, 27, 0.002);
Expand All @@ -862,7 +877,7 @@ namespace Algorithms
printf("INS %2dPAB4 %3i\n", bankid, 90);
for (size_t k = 0; k < 90; ++k)
{
printf("INS %2dPAB4%2d%10.5f%10.5f%10.5f%10.5f\n", bankid, k+1, m_gdsp[k],
printf("INS %2dPAB4%2d%10.5f%10.5f%10.5f%10.5f\n", bankid, static_cast<int>(k)+1, m_gdsp[k],
m_gdt[k], m_galpha[k], m_gbeta[k]);
}

Expand All @@ -877,7 +892,7 @@ namespace Algorithms
printf("INS %2dPAB5 %3i\n", bankid, 90); // 90 means there will be 90 lines of table
for (size_t k = 0; k < 90; k ++)
{
printf("INS %2iPAB5%2i%10.5f%10.5f%10.5f%10.5f\n", bankid, k+1, m_gdsp[k], m_gdt[k],
printf("INS %2dPAB5%2d%10.5f%10.5f%10.5f%10.5f\n", bankid, static_cast<int>(k)+1, m_gdsp[k], m_gdt[k],
m_galpha[k], m_gbeta[k]);
}

Expand Down Expand Up @@ -958,7 +973,7 @@ namespace Algorithms
{
stringstream errss;
errss << "Profile parameter map does not contain parameter"
<< paramname << ". ";
<< parname << ". ";
g_log.error(errss.str());
throw runtime_error(errss.str());
}
Expand Down Expand Up @@ -987,7 +1002,7 @@ namespace Algorithms
if (piter == biter->second.end())
{
stringstream errss;
errss << "Bank " << banikd << "'s profile parameter does not contain parameter"
errss << "Bank " << bankid << "'s profile parameter does not contain parameter"
<< paramname << ". ";
g_log.error(errss.str());
throw runtime_error(errss.str());
Expand Down

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