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Re #7026. Split DiffSphere into three files so wikitools can find it.
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64 changes: 64 additions & 0 deletions
64
Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/ElasticDiffSphere.h
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,64 @@ | ||
| #ifndef MANTID_ELASTICDIFFSPHERE_H_ | ||
| #define MANTID_ELASTICDIFFSPHERE_H_ | ||
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| //---------------------------------------------------------------------- | ||
| // Includes | ||
| //---------------------------------------------------------------------- | ||
| #include "MantidAPI/ParamFunction.h" | ||
| #include "MantidAPI/IFunction1D.h" | ||
| #include "MantidAPI/FunctionDomain.h" | ||
| #include "MantidAPI/Jacobian.h" | ||
| #include "MantidAPI/ImmutableCompositeFunction.h" | ||
| #include "DeltaFunction.h" | ||
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| namespace Mantid | ||
| { | ||
| namespace CurveFitting | ||
| { | ||
| /** | ||
| @author Jose Borreguero, NScD | ||
| @date 11/14/2011 | ||
| Copyright © 2007-8 ISIS Rutherford Appleton Laboratory & NScD Oak Ridge National Laboratory | ||
| 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> | ||
| */ | ||
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| class DLLExport ElasticDiffSphere : public DeltaFunction | ||
| { | ||
| public: | ||
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| /// Constructor | ||
| ElasticDiffSphere(); | ||
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| /// Destructor | ||
| virtual ~ElasticDiffSphere() {}; | ||
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| /// overwrite IFunction base class methods | ||
| virtual std::string name()const{return "ElasticDiffSphere";} | ||
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| /// A rescaling of the peak intensity | ||
| double HeightPrefactor() const; | ||
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| }; | ||
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| } // namespace CurveFitting | ||
| } // namespace Mantid | ||
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| #endif /*MANTID_ELASTICDIFFSPHERE_H_*/ |
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Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/InelasticDiffSphere.h
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,111 @@ | ||
| #ifndef MANTID_INELASTICDIFFSPHERE_H_ | ||
| #define MANTID_INELASTICDIFFSPHERE_H_ | ||
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| //---------------------------------------------------------------------- | ||
| // Includes | ||
| //---------------------------------------------------------------------- | ||
| #include "MantidAPI/ParamFunction.h" | ||
| #include "MantidAPI/IFunction1D.h" | ||
| #include "MantidAPI/FunctionDomain.h" | ||
| #include "MantidAPI/Jacobian.h" | ||
| #include "MantidAPI/ImmutableCompositeFunction.h" | ||
| #include "DeltaFunction.h" | ||
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| namespace Mantid | ||
| { | ||
| namespace CurveFitting | ||
| { | ||
| /** | ||
| @author Jose Borreguero, NScD | ||
| @date 11/14/2011 | ||
| Copyright © 2007-8 ISIS Rutherford Appleton Laboratory & NScD Oak Ridge National Laboratory | ||
| 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> | ||
| */ | ||
|
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| /// structure to hold info on Volino's coefficients | ||
| struct xnlc{ | ||
| double x; | ||
| unsigned int l; | ||
| unsigned int n; | ||
| }; | ||
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| /// simple structure to hold a linear interpolation of factor J around its numerical divergence point | ||
| struct linearJ{ | ||
| double slope; | ||
| double intercept; | ||
| }; | ||
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| /* Class representing the inelastic portion of the DiffSphere algorithm. | ||
| * Contains the 98 Lorentzians. | ||
| */ | ||
| class DLLExport InelasticDiffSphere : public API::ParamFunction, public API::IFunction1D | ||
| { | ||
| public: | ||
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| InelasticDiffSphere(); | ||
| virtual ~InelasticDiffSphere() {} | ||
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| virtual std::string name()const{return "InelasticDiffSphere";} | ||
| virtual const std::string category() const { return "QuasiElastic";} | ||
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| void calNumericalDeriv2(const API::FunctionDomain& domain, API::Jacobian& out); | ||
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| protected: | ||
| virtual void function1D(double* out, const double* xValues, const size_t nData)const; | ||
| virtual void functionDeriv1D(API::Jacobian* out, const double* xValues, const size_t nData); | ||
| virtual void functionDeriv(const API::FunctionDomain& domain, API::Jacobian& jacobian); | ||
| std::vector<double> LorentzianCoefficients(double a) const; | ||
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| private: | ||
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| /// initialize the Xnl coefficients | ||
| void initXnlCoeff(); | ||
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| /// initialize the alpha coefficients | ||
| void initAlphaCoeff(); | ||
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| /// initialize the list of Linearized J values | ||
| void initLinJlist(); | ||
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| /// xnl coefficients | ||
| std::vector<xnlc> xnl; | ||
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| /// certain coefficients invariant during fitting | ||
| std::vector<double> alpha; | ||
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| /// maximum value of l in xnlist | ||
| unsigned int lmax; | ||
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| /// number of coefficients | ||
| unsigned int ncoeff; | ||
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| /// linear interpolation zone around the numerical divergence of factor J | ||
| double m_divZone; | ||
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| /// list of linearized J values | ||
| std::vector<linearJ> linearJlist; | ||
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| }; // end of class InelasticDiffSphere | ||
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| } // namespace CurveFitting | ||
| } // namespace Mantid | ||
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| #endif /*MANTID_INELASTICDIFFSPHERE_H_*/ |
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