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// SPDX-License-Identifier: LGPL-3.0-or-later
// Author: Kristian Lytje
#pragma once
#include <api/api_helper.h>
/**
* @brief Test the integration of the C++ code with the Python code.
* This will simply increment the value of the given pointer by 1.
*/
extern "C" API void test_integration(int* test_value);
/**
* @brief Start an iterative fit.
*
* This will initialize the fit process, converting the given data and PDB coordinates into a
* dataset and a molecule, respectively. The fit will be performed in steps, allowing SasView to control the fitting process.
*/
// extern "C" API void iterative_fit_start(
// double* data_q, double* data_I, double* data_Ierr, int n_data,
// double* pdb_x, double* pdb_y, double* pdb_z,
// const char** atom_names, const char** residue_names, const char** elements,
// int n_pdb, int* return_status
// );
/**
* @brief Calculate the scattering intensity for the current parameters.
*/
// extern "C" API void iterative_fit_step(double* pars, double* return_I, int* return_status);
/**
* @brief Finish the iterative fit process.
* This will return the final intensity, and write out the model to disk.
*/
// extern "C" API void iterative_fit_finish(double* pars, double* return_I, int* return_status);
/**
* @brief Fit the scattering intensity for a structure to the given data.
* The return status will be non-zero if an error occurred.
* The resulting I(q) values will be stored in the given array.
*/
// extern "C" API void fit_saxs(
// double* _data_q, double* _data_I, double* _data_Ierr, int _n_data,
// double* _pdb_x, double* _pdb_y, double* _pdb_z, const char** atom_names,
// const char** residue_names, const char** elements, int _n_pdb,
// double* _return_I, int* _return_status
// );
/**
* @brief Evaluate the I(q) for a given set of q-values and a set of coordinates.
* The coordinates are assumed to be in the form of a list of x, y, z, and w values.
* The return status will be non-zero if an error occurred.
* The resulting I(q) values will be stored in the given array.
*/
extern "C" API void debye_no_ff(
double* _q, double* _x, double* _y, double* _z, double* _w,
int _nq, int _nc, double* _return_Iq, int* _return_status
);
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