diff --git a/Framework/DataHandling/src/LoadGSS.cpp b/Framework/DataHandling/src/LoadGSS.cpp
index 44992417e1b088092d05492d03a89171d77e0277..9f26e29dfc93e41129680a9474bd8ae1c53700ea 100644
--- a/Framework/DataHandling/src/LoadGSS.cpp
+++ b/Framework/DataHandling/src/LoadGSS.cpp
@@ -14,11 +14,11 @@
#include "MantidGeometry/Instrument/Component.h"
#include "MantidKernel/UnitFactory.h"
-#include <boost/math/special_functions/fpclassify.hpp>
-#include <Poco/File.h>
-
+#include <boost/regex.hpp>
#include <fstream>
+#include <Poco/File.h>
#include <sstream>
+#include <string>
using namespace Mantid::DataHandling;
using namespace Mantid::API;
@@ -29,6 +29,13 @@ namespace DataHandling {
DECLARE_FILELOADER_ALGORITHM(LoadGSS)
+namespace { // anonymous namespace
+const boost::regex DET_POS_REG_EXP{"^#.+flight path\\s+([0-9.]+).+"
+ "tth\\s+([0-9.]+).+"
+ "DIFC\\s+([0-9.]+)"};
+const boost::regex L1_REG_EXP{"^#.+flight path\\s+([0-9.]+)\\s*m"};
+} // end of anonymous namespace
+
//----------------------------------------------------------------------------------------------
/** Return the confidence with with this algorithm can load the file
* @param descriptor A descriptor for the file
@@ -187,33 +194,51 @@ API::MatrixWorkspace_sptr LoadGSS::loadGSASFile(const std::string &filename,
}
} else if (key1 == "Primary") {
// Primary flight path ...
- std::string s1, s2;
- inputLine >> s1 >> s2;
- primaryflightpath = atof(s2.c_str()); // convertToDouble(s2);
- g_log.information() << "L1 = " << primaryflightpath << '\n';
+ boost::smatch result;
+ if (boost::regex_search(inputLine.str(), result, L1_REG_EXP) &&
+ result.size() == 2) {
+ primaryflightpath = std::stod(std::string(result[1]));
+
+ } else {
+ std::stringstream msg;
+ msg << "Failed to parse primary flight path from line \""
+ << inputLine.str() << "\"";
+ g_log.warning(msg.str());
+ }
+
+ std::stringstream msg;
+ msg << "L1 = " << primaryflightpath;
+ g_log.information(msg.str());
} else if (key1 == "Total") {
// Total flight path .... .... including total flying path, difc and
// 2theta of 1 bank
- std::string s1, s2, s3, s4, s5, s6;
- inputLine >> s1 >> s2 >> s3 >> s4 >> s5 >> s6;
-#if 0
- double totalpath = convertToDouble(s2);
- double tth = convertToDouble(s4);
- double difc = convertToDouble(s6);
-#else
- double totalpath = atof(s2.c_str());
- double tth = atof(s4.c_str());
- double difc = atof(s6.c_str());
-#endif
+
+ double totalpath(0.f);
+ double tth(0.f);
+ double difc(0.f);
+
+ boost::smatch result;
+ if (boost::regex_search(inputLine.str(), result, DET_POS_REG_EXP) &&
+ result.size() == 4) {
+ totalpath = std::stod(std::string(result[1]));
+ tth = std::stod(std::string(result[2]));
+ difc = std::stod(std::string(result[3]));
+ } else {
+ std::stringstream msg;
+ msg << "Failed to parse position from line \"" << inputLine.str()
+ << "\"";
+ g_log.warning(msg.str());
+ }
totalflightpaths.push_back(totalpath);
twothetas.push_back(tth);
difcs.push_back(difc);
- g_log.information() << "Bank " << difcs.size() - 1
- << ": Total flight path = " << totalpath
- << " 2Theta = " << tth << " DIFC = " << difc
- << "\n";
+ std::stringstream msg;
+ msg << "Bank " << difcs.size() - 1
+ << ": Total flight path = " << totalpath << " 2Theta = " << tth
+ << " DIFC = " << difc;
+ g_log.information(msg.str());
} // if keys....
} // ENDIF for Line with #
@@ -443,7 +468,7 @@ double LoadGSS::convertToDouble(std::string inputstring) {
}
}
- double rd = atof(temps.c_str());
+ double rd = std::stod(temps);
return rd;
}
diff --git a/Framework/DataHandling/test/LoadGSSTest.h b/Framework/DataHandling/test/LoadGSSTest.h
index a20a770b2f84ffa87b6eb38a80457e95b407f1c5..4ff6c579944c343e0662153e48f99ba3596fea70 100644
--- a/Framework/DataHandling/test/LoadGSSTest.h
+++ b/Framework/DataHandling/test/LoadGSSTest.h
@@ -7,10 +7,12 @@
#include "MantidAPI/Axis.h"
#include "MantidAPI/MatrixWorkspace.h"
#include "MantidTestHelpers/ScopedFileHelper.h"
+#include "MantidGeometry/Instrument.h"
using namespace Mantid;
using Mantid::DataHandling::LoadGSS;
using ScopedFileHelper::ScopedFile;
+using Mantid::Kernel::V3D;
class LoadGSSTest : public CxxTest::TestSuite {
public:
@@ -52,7 +54,16 @@ public:
" 115206.06310 1234567.00000003 0.00000000\n"
" 115209.92877 12345678.00000004 0.00000000\n"
" 115213.79731123456789.00000005 0.00000000\n"
- " 115217.66873234567890.00000006 0.00000000";
+ " 115217.66873234567890.00000006 0.00000000\n"
+ "\n"
+ "# Total flight path 42.060 m, tth 154.257 deg, DIFC 10398.8\n"
+ "# Data for spectrum :1\n"
+ "BANK 2 4399 4399 RALF 166409 124 166409 0.00074 FXYE\n"
+ " 115202.20029 1.00000000 0.00000000\n"
+ " 115206.06310 1.00000000 0.00000000\n"
+ " 115209.92877 2.00000000 0.00000000\n"
+ " 115213.79731 3.00000000 0.00000000\n"
+ " 115217.66873 5.00000000 0.00000000\n";
ScopedFile file(gss, "gss_large_x.txt");
API::IAlgorithm_sptr loader = createAlgorithm();
loader->setPropertyValue("Filename", file.getFileName());
@@ -69,6 +80,21 @@ public:
dx = x2 - x1;
y = ws->readY(0)[3] * dx;
TS_ASSERT_DELTA(y, 123456789.00000005, 1e-10);
+
+ const auto source = ws->getInstrument()->getSource();
+ const auto sample = ws->getInstrument()->getSample();
+ TS_ASSERT_DELTA(sample->getDistance(*source), 40., 1e-4);
+
+ const auto det0 = ws->getDetector(0);
+ TS_ASSERT_DELTA(det0->getDistance(*sample), 2.2222, 1e-4);
+ TS_ASSERT_DELTA(det0->getTwoTheta(V3D(0.0, 0.0, 0.0), V3D(0.0, 0.0, 1.0)) *
+ 180. / M_PI,
+ 58.308, 1e-4);
+ const auto det1 = ws->getDetector(1);
+ TS_ASSERT_DELTA(det1->getDistance(*sample), 2.060, 1e-4);
+ TS_ASSERT_DELTA(det1->getTwoTheta(V3D(0.0, 0.0, 0.0), V3D(0.0, 0.0, 1.0)) *
+ 180. / M_PI,
+ 154.257, 1e-4);
}
void test_load_gss_ExtendedHeader_gsa() {