Skip to content
GitLab
Commit d9126791 authored by Lynch, Vickie's avatar Lynch, Vickie
Browse files

Refs #22420 clang-format

parent 59c72aa1
Hide whitespace changes
Inline Side-by-side
Framework/Crystal/inc/MantidCrystal/PredictSatellitePeaks.h
View file @ d9126791
......@@ -68,7 +68,7 @@ private:
Kernel::V3D getOffsetVector(const std::string &label);
void predictOffsets(DataObjects::PeaksWorkspace_sptr Peaks,
boost::shared_ptr<Mantid::API::IPeaksWorkspace> &OutPeaks,
Kernel::V3D offsets, int &maxOrder, Kernel::V3D & hkl,
Kernel::V3D offsets, int &maxOrder, Kernel::V3D &hkl,
Geometry::HKLFilterWavelength &lambdaFilter,
bool &includePeaksInRange, bool &includeOrderZero,
int &seqNum,
......
Framework/Crystal/src/PredictSatellitePeaks.cpp
View file @ d9126791
......@@ -143,7 +143,8 @@ void PredictSatellitePeaks::exec() {
const double dMin = getProperty("MinDSpacing");
const double dMax = getProperty("MaxDSpacing");
Geometry::HKLGenerator gen(lattice, dMin);
auto dSpacingFilter = boost::make_shared<HKLFilterDRange>(lattice, dMin, dMax);
auto dSpacingFilter =
boost::make_shared<HKLFilterDRange>(lattice, dMin, dMax);
V3D hkl = *(gen.begin());
g_log.information() << "HKL range for d_min of " << dMin << " to d_max of "
......@@ -156,8 +157,8 @@ void PredictSatellitePeaks::exec() {
possibleHKLs.clear();
possibleHKLs.reserve(gen.size());
std::remove_copy_if(gen.begin(), gen.end(),
std::back_inserter(possibleHKLs), (~dSpacingFilter)->fn());
std::back_inserter(possibleHKLs),
(~dSpacingFilter)->fn());
}
size_t N = possibleHKLs.size();
......@@ -169,21 +170,24 @@ void PredictSatellitePeaks::exec() {
auto orientedUB = goniometer * UB;
HKLFilterWavelength lambdaFilter(orientedUB, lambdaMin, lambdaMax);
int seqNum = 0;
OutPeaks->mutableRun().addProperty<std::vector<double>>("Offset1", offsets1, true);
OutPeaks->mutableRun().addProperty<std::vector<double>>("Offset2", offsets2, true);
OutPeaks->mutableRun().addProperty<std::vector<double>>("Offset3", offsets3, true);
for (auto it = possibleHKLs.begin(); it != possibleHKLs.end(); ++it){
OutPeaks->mutableRun().addProperty<std::vector<double>>("Offset1", offsets1,
true);
OutPeaks->mutableRun().addProperty<std::vector<double>>("Offset2", offsets2,
true);
OutPeaks->mutableRun().addProperty<std::vector<double>>("Offset3", offsets3,
true);
for (auto it = possibleHKLs.begin(); it != possibleHKLs.end(); ++it) {
V3D hkl = *it;
predictOffsets(Peaks, OutPeaks, offsets1, maxOrder, hkl,
lambdaFilter, includePeaksInRange,
includeOrderZero, seqNum, AlreadyDonePeaks);
predictOffsets(Peaks, OutPeaks, offsets2, maxOrder, hkl,
lambdaFilter, includePeaksInRange,
includeOrderZero, seqNum, AlreadyDonePeaks);
predictOffsets(Peaks, OutPeaks, offsets3, maxOrder, hkl,
lambdaFilter, includePeaksInRange,
includeOrderZero, seqNum, AlreadyDonePeaks);
}
predictOffsets(Peaks, OutPeaks, offsets1, maxOrder, hkl, lambdaFilter,
includePeaksInRange, includeOrderZero, seqNum,
AlreadyDonePeaks);
predictOffsets(Peaks, OutPeaks, offsets2, maxOrder, hkl, lambdaFilter,
includePeaksInRange, includeOrderZero, seqNum,
AlreadyDonePeaks);
predictOffsets(Peaks, OutPeaks, offsets3, maxOrder, hkl, lambdaFilter,
includePeaksInRange, includeOrderZero, seqNum,
AlreadyDonePeaks);
}
setProperty("SatellitePeaks", OutPeaks);
}
......@@ -220,34 +224,37 @@ void PredictSatellitePeaks::exec_peaks() {
vector<vector<int>> AlreadyDonePeaks;
int seqNum = 0;
HKLFilterWavelength lambdaFilter(DblMatrix(3, 3, true), 0.1, 100.);
OutPeaks->mutableRun().addProperty<std::vector<double>>("Offset1", offsets1, true);
OutPeaks->mutableRun().addProperty<std::vector<double>>("Offset2", offsets2, true);
OutPeaks->mutableRun().addProperty<std::vector<double>>("Offset3", offsets3, true);
std::vector<Peak> peaks = Peaks->getPeaks();
for (auto it = peaks.begin(); it != peaks.end(); ++it){
OutPeaks->mutableRun().addProperty<std::vector<double>>("Offset1", offsets1,
true);
OutPeaks->mutableRun().addProperty<std::vector<double>>("Offset2", offsets2,
true);
OutPeaks->mutableRun().addProperty<std::vector<double>>("Offset3", offsets3,
true);
std::vector<Peak> peaks = Peaks->getPeaks();
for (auto it = peaks.begin(); it != peaks.end(); ++it) {
auto peak = *it;
V3D hkl = peak.getHKL();
predictOffsets(Peaks, OutPeaks, offsets1, maxOrder, hkl,
lambdaFilter, includePeaksInRange,
includeOrderZero, seqNum, AlreadyDonePeaks);
predictOffsets(Peaks, OutPeaks, offsets2, maxOrder, hkl,
lambdaFilter, includePeaksInRange,
includeOrderZero, seqNum, AlreadyDonePeaks);
predictOffsets(Peaks, OutPeaks, offsets3, maxOrder, hkl,
lambdaFilter, includePeaksInRange,
includeOrderZero, seqNum, AlreadyDonePeaks);
predictOffsets(Peaks, OutPeaks, offsets1, maxOrder, hkl, lambdaFilter,
includePeaksInRange, includeOrderZero, seqNum,
AlreadyDonePeaks);
predictOffsets(Peaks, OutPeaks, offsets2, maxOrder, hkl, lambdaFilter,
includePeaksInRange, includeOrderZero, seqNum,
AlreadyDonePeaks);
predictOffsets(Peaks, OutPeaks, offsets3, maxOrder, hkl, lambdaFilter,
includePeaksInRange, includeOrderZero, seqNum,
AlreadyDonePeaks);
}
setProperty("SatellitePeaks", OutPeaks);
}
void PredictSatellitePeaks::predictOffsets(
DataObjects::PeaksWorkspace_sptr Peaks,
boost::shared_ptr<Mantid::API::IPeaksWorkspace> &OutPeaks,
V3D offsets, int &maxOrder, V3D &hkl,
HKLFilterWavelength &lambdaFilter, bool &includePeaksInRange,
bool &includeOrderZero, int &seqNum,
boost::shared_ptr<Mantid::API::IPeaksWorkspace> &OutPeaks, V3D offsets,
int &maxOrder, V3D &hkl, HKLFilterWavelength &lambdaFilter,
bool &includePeaksInRange, bool &includeOrderZero, int &seqNum,
vector<vector<int>> &AlreadyDonePeaks) {
if (offsets == V3D(0,0,0)) return;
if (offsets == V3D(0, 0, 0))
return;
const Kernel::DblMatrix &UB = Peaks->sample().getOrientedLattice().getUB();
IPeak &peak1 = Peaks->getPeak(0);
Kernel::Matrix<double> goniometer = peak1.getGoniometerMatrix();
......@@ -272,13 +279,15 @@ void PredictSatellitePeaks::predictOffsets(
peak->setGoniometerMatrix(goniometer);
if (!peak->findDetector(tracer)) continue;
if (!peak->findDetector(tracer))
continue;
vector<int> SavPk{RunNumber, boost::math::iround(1000.0 * satelliteHKL[0]),
boost::math::iround(1000.0 * satelliteHKL[1]),
boost::math::iround(1000.0 * satelliteHKL[2])};
boost::math::iround(1000.0 * satelliteHKL[1]),
boost::math::iround(1000.0 * satelliteHKL[2])};
bool foundPeak =
binary_search(AlreadyDonePeaks.begin(), AlreadyDonePeaks.end(), SavPk);
bool foundPeak = binary_search(AlreadyDonePeaks.begin(), AlreadyDonePeaks.end(), SavPk);
if (!foundPeak) {
AlreadyDonePeaks.push_back(SavPk);
} else {
......@@ -302,7 +311,7 @@ V3D PredictSatellitePeaks::getOffsetVector(const std::string &label) {
offsets.push_back(0.0);
offsets.push_back(0.0);
}
V3D offsets1 = V3D(offsets[0],offsets[1], offsets[2]);
V3D offsets1 = V3D(offsets[0], offsets[1], offsets[2]);
return offsets1;
}
......
Framework/Crystal/test/PredictSatellitePeaksTest.h
View file @ d9126791
......@@ -58,7 +58,7 @@ public:
gonio.makeUniversalGoniometer();
gonio.setRotationAngle(1, 180);
pw->mutableRun().setGoniometer(gonio, false);
CalculateUMatrix alg2;
TS_ASSERT_THROWS_NOTHING(alg2.initialize())
TS_ASSERT(alg2.isInitialized())
......
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment