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CreateMD.h
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CreateMD.h
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#ifndef MANTID_MDALGORITHMS_CREATEMD_H_
#define MANTID_MDALGORITHMS_CREATEMD_H_
#include "MantidMDAlgorithms/DllConfig.h"
#include "MantidAPI/DataProcessorAlgorithm.h"
#include "MantidDataObjects/MDEventWorkspace.h"
namespace Mantid {
namespace MDAlgorithms {
void MANTID_MDALGORITHMS_DLL
padParameterVector(std::vector<double> ¶m_vector,
const size_t grow_to_size);
bool any_given(const std::vector<std::vector<double>> ¶ms);
bool all_given(const std::vector<std::vector<double>> ¶ms);
extern bool dataExists(const std::string &data_name);
/** CreateMD : This workflow algorithm creates MDWorkspaces in the Q3D, HKL
frame using ConvertToMD
Copyright © 2015 ISIS Rutherford Appleton Laboratory, NScD Oak Ridge
National Laboratory & European Spallation Source
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 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/>.
File change history is stored at: <https://github.com/mantidproject/mantid>
Code Documentation is available at: <http://doxygen.mantidproject.org>
*/
class MANTID_MDALGORITHMS_DLL CreateMD : public API::DataProcessorAlgorithm {
public:
const std::string name() const override;
int version() const override;
const std::string category() const override;
const std::string summary() const override;
private:
void init() override;
void exec() override;
/// Load data from file into a workspace
Mantid::API::Workspace_sptr loadWs(const std::string &filename,
const std::string &wsname);
/// Add a sample log to a workspace
void addSampleLog(Mantid::API::MatrixWorkspace_sptr workspace,
const std::string &log_name, double log_number);
/// Set the goniometer values in a workspace
void setGoniometer(Mantid::API::MatrixWorkspace_sptr workspace);
/// Set the UB matrix in a workspace
void setUB(Mantid::API::MatrixWorkspace_sptr workspace, double a, double b,
double c, double alpha, double beta, double gamma,
const std::vector<double> &u, const std::vector<double> &v);
/// Convert a workspace to MDWorkspace
Mantid::API::IMDEventWorkspace_sptr
convertToMD(Mantid::API::Workspace_sptr workspace,
const std::string &analysis_mode, bool in_place,
const std::string &filebackend_filename, const bool filebackend,
Mantid::API::IMDEventWorkspace_sptr out_mdws);
/// Merge input workspaces
Mantid::API::IMDEventWorkspace_sptr
merge_runs(const std::vector<std::string> &to_merge);
/// Add logs and convert to MDWorkspace for a single run
Mantid::API::IMDEventWorkspace_sptr
single_run(Mantid::API::MatrixWorkspace_sptr input_workspace,
const std::string &emode, double efix, double psi, double gl,
double gs, bool in_place, const std::vector<double> &alatt,
const std::vector<double> &angdeg, const std::vector<double> &u,
const std::vector<double> &v,
const std::string &filebackend_filename, const bool filebackend,
Mantid::API::IMDEventWorkspace_sptr out_mdws);
/// Validate the algorithm's input properties
std::map<std::string, std::string> validateInputs() override;
};
} // namespace MDAlgorithms
} // namespace Mantid
#endif /* MANTID_MDALGORITHMS_CREATEMD_H_ */