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Refs #10263. Clang-formatting new source code
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Michael Wedel committed Jan 13, 2015
1 parent 80bd032 commit 31b6bc5
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169 changes: 91 additions & 78 deletions Code/Mantid/Framework/SINQ/inc/MantidSINQ/PoldiFitPeaks1D2.h
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Expand Up @@ -11,114 +11,127 @@
#include "MantidDataObjects/TableWorkspace.h"
#include "MantidAPI/TableRow.h"

namespace Mantid
{
namespace Poldi
{
/// Helper class for refining peaks with overlapping ranges
class RefinedRange
{
public:
RefinedRange(const PoldiPeak_sptr &peak, double fwhmMultiples);
RefinedRange(double xStart, double xEnd, const std::vector<PoldiPeak_sptr> &peaks);
RefinedRange(const RefinedRange &other);
namespace Mantid {
namespace Poldi {
/// Helper class for refining peaks with overlapping ranges
class RefinedRange {
public:
RefinedRange(const PoldiPeak_sptr &peak, double fwhmMultiples);
RefinedRange(double xStart, double xEnd,
const std::vector<PoldiPeak_sptr> &peaks);
RefinedRange(const RefinedRange &other);

bool operator <(const RefinedRange &other) const;
bool operator<(const RefinedRange &other) const;

bool overlaps(const RefinedRange &other) const;
void merge(const RefinedRange &other);
bool overlaps(const RefinedRange &other) const;
void merge(const RefinedRange &other);

const std::vector<PoldiPeak_sptr> getPeaks() const { return m_peaks; }
const std::vector<PoldiPeak_sptr> getPeaks() const { return m_peaks; }

double getXStart() const { return m_xStart; }
double getXEnd() const { return m_xEnd; }
double getXStart() const { return m_xStart; }
double getXEnd() const { return m_xEnd; }

private:
std::vector<PoldiPeak_sptr> m_peaks;
double m_xStart;
double m_xEnd;
};
private:
std::vector<PoldiPeak_sptr> m_peaks;
double m_xStart;
double m_xEnd;
};

typedef boost::shared_ptr<RefinedRange> RefinedRange_sptr;
typedef boost::shared_ptr<RefinedRange> RefinedRange_sptr;

bool operator <(const RefinedRange_sptr &lhs, const RefinedRange_sptr &rhs);
bool operator<(const RefinedRange_sptr &lhs, const RefinedRange_sptr &rhs);

/** PoldiFitPeaks1D2 :
PoldiFitPeaks1D2 fits multiple peaks to POLDI auto-correlation data.
/** PoldiFitPeaks1D2 :
@author Michael Wedel, Paul Scherrer Institut - SINQ
@date 17/03/2014
PoldiFitPeaks1D2 fits multiple peaks to POLDI auto-correlation data.
Copyright © 2014 PSI-MSS
@author Michael Wedel, Paul Scherrer Institut - SINQ
@date 17/03/2014
This file is part of Mantid.
Copyright © 2014 PSI-MSS
Mantid is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
This file is part of Mantid.
Mantid is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
Mantid is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>.
Mantid is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
class MANTID_SINQ_DLL PoldiFitPeaks1D2 : public API::Algorithm
{
public:
PoldiFitPeaks1D2();
virtual ~PoldiFitPeaks1D2();

virtual const std::string name() const;
///Summary of algorithms purpose
virtual const std::string summary() const {return "PoldiPeakFit1D fits peak profiles to POLDI auto-correlation data.";}
You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>.
virtual int version() const;
virtual const std::string category() const;
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
class MANTID_SINQ_DLL PoldiFitPeaks1D2 : public API::Algorithm {
public:
PoldiFitPeaks1D2();
virtual ~PoldiFitPeaks1D2();

protected:
PoldiPeakCollection_sptr fitPeaks(const PoldiPeakCollection_sptr &peaks);
virtual const std::string name() const;
/// Summary of algorithms purpose
virtual const std::string summary() const {
return "PoldiPeakFit1D fits peak profiles to POLDI auto-correlation data.";
}

int getBestChebyshevPolynomialDegree(const DataObjects::Workspace2D_sptr &dataWorkspace, const RefinedRange_sptr &range);
virtual int version() const;
virtual const std::string category() const;

PoldiPeakCollection_sptr getReducedPeakCollection(const PoldiPeakCollection_sptr &peaks) const;
bool peakIsAcceptable(const PoldiPeak_sptr &peak) const;
protected:
PoldiPeakCollection_sptr fitPeaks(const PoldiPeakCollection_sptr &peaks);

void setPeakFunction(const std::string &peakFunction);
PoldiPeakCollection_sptr getInitializedPeakCollection(const DataObjects::TableWorkspace_sptr &peakTable) const;
int getBestChebyshevPolynomialDegree(
const DataObjects::Workspace2D_sptr &dataWorkspace,
const RefinedRange_sptr &range);

std::vector<RefinedRange_sptr> getRefinedRanges(const PoldiPeakCollection_sptr &peaks) const;
std::vector<RefinedRange_sptr> getReducedRanges(const std::vector<RefinedRange_sptr> &ranges) const;
PoldiPeakCollection_sptr
getReducedPeakCollection(const PoldiPeakCollection_sptr &peaks) const;

API::IFunction_sptr getRangeProfile(const RefinedRange_sptr &range, int n) const;
API::IFunction_sptr getPeakProfile(const PoldiPeak_sptr &poldiPeak) const;
void setValuesFromProfileFunction(PoldiPeak_sptr poldiPeak, const API::IFunction_sptr &fittedFunction) const;
double getFwhmWidthRelation(API::IPeakFunction_sptr peakFunction) const;
bool peakIsAcceptable(const PoldiPeak_sptr &peak) const;
void setPeakFunction(const std::string &peakFunction);

API::IAlgorithm_sptr getFitAlgorithm(const DataObjects::Workspace2D_sptr &dataWorkspace, const RefinedRange_sptr &range, int n);
PoldiPeakCollection_sptr getInitializedPeakCollection(
const DataObjects::TableWorkspace_sptr &peakTable) const;

PoldiPeakCollection_sptr m_peaks;
std::string m_profileTemplate;
std::vector<RefinedRange_sptr>
getRefinedRanges(const PoldiPeakCollection_sptr &peaks) const;

API::WorkspaceGroup_sptr m_fitplots;
std::vector<RefinedRange_sptr>
getReducedRanges(const std::vector<RefinedRange_sptr> &ranges) const;

API::IFunction_sptr getRangeProfile(const RefinedRange_sptr &range,
int n) const;

double m_fwhmMultiples;
API::IFunction_sptr getPeakProfile(const PoldiPeak_sptr &poldiPeak) const;

private:
void init();
void exec();
};
void
setValuesFromProfileFunction(PoldiPeak_sptr poldiPeak,
const API::IFunction_sptr &fittedFunction) const;

double getFwhmWidthRelation(API::IPeakFunction_sptr peakFunction) const;

API::IAlgorithm_sptr
getFitAlgorithm(const DataObjects::Workspace2D_sptr &dataWorkspace,
const RefinedRange_sptr &range, int n);

PoldiPeakCollection_sptr m_peaks;
std::string m_profileTemplate;

API::WorkspaceGroup_sptr m_fitplots;

double m_fwhmMultiples;

private:
void init();
void exec();
};

} // namespace Poldi
} // namespace Mantid

#endif /* MANTID_SINQ_POLDIFITPEAKS1D2_H_ */
#endif /* MANTID_SINQ_POLDIFITPEAKS1D2_H_ */
87 changes: 42 additions & 45 deletions Code/Mantid/Framework/SINQ/inc/MantidSINQ/PoldiPeakSummary.h
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Expand Up @@ -8,65 +8,62 @@
#include "MantidAPI/TableRow.h"
#include "MantidSINQ/PoldiUtilities/PoldiPeakCollection.h"

namespace Mantid
{
namespace Poldi
{
namespace Mantid {
namespace Poldi {

/** PoldiPeakSummary
/** PoldiPeakSummary
This small algorithm produces a summary table for a given
PoldiPeakCollection, similar to what the original data
analysis software produced.
This small algorithm produces a summary table for a given
PoldiPeakCollection, similar to what the original data
analysis software produced.
@author Michael Wedel, Paul Scherrer Institut - SINQ
@date 03/12/2014
@author Michael Wedel, Paul Scherrer Institut - SINQ
@date 03/12/2014
Copyright © 2014 PSI-MSS
Copyright © 2014 PSI-MSS
This file is part of Mantid.
This file is part of Mantid.
Mantid is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
Mantid is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 3 of the License, or
(at your option) any later version.
Mantid is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
Mantid is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>.
You should have received a copy of the GNU General Public License
along with this program. If not, see <http://www.gnu.org/licenses/>.
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
class MANTID_SINQ_DLL PoldiPeakSummary : public API::Algorithm
{
public:
PoldiPeakSummary();
virtual ~PoldiPeakSummary();

virtual const std::string name() const;
virtual int version() const;
virtual const std::string category() const;
virtual const std::string summary() const;
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
class MANTID_SINQ_DLL PoldiPeakSummary : public API::Algorithm {
public:
PoldiPeakSummary();
virtual ~PoldiPeakSummary();

protected:
DataObjects::TableWorkspace_sptr getSummaryTable(const PoldiPeakCollection_sptr &peakCollection) const;
DataObjects::TableWorkspace_sptr getInitializedResultWorkspace() const;
virtual const std::string name() const;
virtual int version() const;
virtual const std::string category() const;
virtual const std::string summary() const;

void storePeakSummary(API::TableRow tableRow, const PoldiPeak_sptr &peak) const;
protected:
DataObjects::TableWorkspace_sptr
getSummaryTable(const PoldiPeakCollection_sptr &peakCollection) const;
DataObjects::TableWorkspace_sptr getInitializedResultWorkspace() const;

private:
void init();
void exec();

};
void storePeakSummary(API::TableRow tableRow,
const PoldiPeak_sptr &peak) const;

private:
void init();
void exec();
};

} // namespace Poldi
} // namespace Mantid

#endif /* MANTID_POLDI_POLDIPEAKSUMMARY_H_ */
#endif /* MANTID_POLDI_POLDIPEAKSUMMARY_H_ */

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