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Enabled to support prof 9 and more unit tests. Refs #8096.
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@wdzhou
wdzhou committed Oct 11, 2013
1 parent 1fe5f20 commit c3a9e3d
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Showing 3 changed files with 212 additions and 73 deletions.
2 changes: 1 addition & 1 deletion Code/Mantid/Framework/DataHandling/inc/MantidDataHandling/SaveFullprofResolution.h
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Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ namespace DataHandling
std::string toProf9IrfString();

/// Parse input workspace to map of parameters
void parseTableWorkspace(int bankid);
void parseTableWorkspace();

/// Check wether a profile parameter map has the parameter
bool has_key(std::map<std::string, double> profmap, std::string key);
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93 changes: 54 additions & 39 deletions Code/Mantid/Framework/DataHandling/src/SaveFullprofResolution.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -84,7 +84,7 @@ namespace DataHandling

boost::shared_ptr<BoundedValidator<int> > bankboundval = boost::make_shared<BoundedValidator<int> >();
bankboundval->setLower(0);
this->declareProperty("Bank", EMPTY_DBL(), "Bank number of the parameters belonged to. ");
this->declareProperty("Bank", EMPTY_INT(), "Bank number of the parameters belonged to. ");

vector<string> supportedfunctions;
supportedfunctions.push_back("Back-to-back exponential convoluted with pseudo-voigt (profile 9)");
Expand All @@ -105,7 +105,7 @@ namespace DataHandling
processProperties();

// Parse the input
parseTableWorkspace(m_bankID);
parseTableWorkspace();

// Generate the string for the file to write
std::string filestr;
Expand All @@ -126,18 +126,15 @@ namespace DataHandling

// Write to file
std::ofstream ofile;
// TODO - Make it an option to write or append a file
#if 0
// Make it work!
if (m_append)
{
ofile.open(irffilename.c_str());
ofile.open(m_outIrfFilename.c_str(), std::ofstream::out | std::ofstream::app);
}
else
{
ofile.open(irffilename.c_str());
ofile.open(m_outIrfFilename.c_str(), std::ofstream::out | std::ofstream::trunc);
}
#endif
ofile << filestr;
ofile.close();

Expand Down Expand Up @@ -187,38 +184,65 @@ namespace DataHandling
/** Parse the table workspace to a map of parameters (name and value)
* to look up
*/
void SaveFullprofResolution::parseTableWorkspace(int bankid)
void SaveFullprofResolution::parseTableWorkspace()
{
// Check the table workspace
std::vector<std::string> colnames = m_profileTableWS->getColumnNames();
size_t numcols = colnames.size();

stringstream dbmsgss("Input table's column names: ");
for (size_t i = 0; i < colnames.size(); ++i)
{
dbmsgss << setw(20) << colnames[i];
}
g_log.debug(dbmsgss.str());

// TODO - Read out a list of parameter names
vector<string> vec_parnames;
{"......";}
if (colnames[0] != "Name")
throw runtime_error("First colunm must be 'Name'");

// Read out a list of parameter names
size_t numpars = m_profileTableWS->rowCount();
vector<string> vec_parnames(numpars);
int rowbankindex = -1;
// TODO - Locate BANK
{"......";}

for (size_t i = 0; i < numpars; ++i)
{
string parname = m_profileTableWS->cell<string>(i, 0);
vec_parnames[i] = parname;
if (parname == "BANK")
rowbankindex = static_cast<int>(i);
}

// Locate the column number to pass parameters
int colindex = -1;
if (rowbankindex < 0)
{
// TODO - If there is NO 'BANK', Locate first (from left) column starting with 'Value'
"......";
// If there is NO 'BANK', locate first (from left) column starting with 'Value'
for (size_t i = 1; i < numcols; ++i)
{
if (boost::starts_with(colnames[i], "Value"))
{
colindex = static_cast<int>(i);
break;
}
}
}
else
{
// TODO - If there is BANK, Locate first (from left) column starting with 'Value' and BANK matches
"......";
// If there is BANK, Locate first (from left) column starting with 'Value' and BANK matches
for (size_t i = 1; i < numcols; ++i)
{
if (boost::starts_with(colnames[i], "Value"))
{
int bankid = static_cast<int>(m_profileTableWS->cell<double>(rowbankindex, i)+0.5);
if (bankid == m_bankID)
{
colindex = static_cast<int>(i);
break;
}
}
}
}

if (colindex < 0)
{
throw runtime_error("Unable to find column");
Expand All @@ -228,23 +252,10 @@ namespace DataHandling
throw runtime_error("Impossible to have this situation.");
}

#if 0
// FIXME - The order of the column name can be flexible in future
if (colnames.size() < 2 || colnames[0].compare("Name") || !boost::starts_with(colnames[colindex], "Value"))
{
std::stringstream errmsg;
errmsg << "Input parameter workspace is not supported or recoganizable. Possible reason is " << "\n";
errmsg << "(1) too few columns. (2) first and second column are not Name and Value.";
g_log.error() << errmsg.str() << "\n";
throw std::invalid_argument(errmsg.str());
}
#endif

// Clear the parameter
m_profileParamMap.clear();

// Parse
size_t numpars = vec_parnames.size();
for (size_t ir = 0; ir < numpars; ++ir)
{
double parvalue = m_profileTableWS->cell<double>(ir, static_cast<size_t>(colindex));
Expand Down Expand Up @@ -323,7 +334,10 @@ namespace DataHandling
if (has_key(m_profileParamMap, "CWL"))
{
double cwl = m_profileParamMap["CWL"];
content << "CWL = " << setprecision(4) << cwl << "A" << "\n";
if (cwl > 0)
content << "CWL = " << setprecision(4) << cwl << "A" << "\n";
else
content << "\n";
}
else
{
Expand All @@ -342,7 +356,7 @@ namespace DataHandling

content << "! Zero Dtt1" << "\n";
content << "ZD2TOF "
<< setprecision(5) << zero
<< setw(16) << setprecision(5) << zero
<< setw(16) << setprecision(5) << dtt1 << "\n";

content << "! Zerot Dtt1t Dtt2t x-cross Width" << "\n";
Expand Down Expand Up @@ -463,7 +477,7 @@ namespace DataHandling
content << "! Dtt1 Dtt2 Zero" << "\n";
content << "D2TOF "
<< setw(16) << setprecision(5) << dtt1
<< setprecision(5) << dtt2
<< setw(16) << setprecision(5) << dtt2
<< setw(16) << setprecision(5) << zero << "\n";

content << "! TOF-TWOTH of the bank" << "\n";
Expand Down Expand Up @@ -500,12 +514,13 @@ namespace DataHandling
*/
bool SaveFullprofResolution::has_key(std::map<std::string, double> profmap, std::string key)
{
// TODO - Implement this function
{"... ...";}

map<string, double>::iterator fiter;
fiter = profmap.find(key);
bool exist = true;
if (fiter == profmap.end())
exist = false;

throw runtime_error("To Implement ASAP");
return false;
return exist;
}


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