Fix swapping progression on Swap1 (cfd0fa52) · Commits · Giacomo Mulas / NP_TMcode

src/include/tfrfme.h

+36 −84

Original line number	Original line	Diff line number	Diff line
	@@ -11,6 +11,8 @@
	class Swap1 {		class Swap1 {
	protected:		protected:
	//! NLMMT = 2 * LM * (LM + 2)		//! NLMMT = 2 * LM * (LM + 2)
			int last_index;
			int nkv;
	int nlmmt;		int nlmmt;

	//! QUESTION: definition?		//! QUESTION: definition?
	@@ -46,13 +48,18 @@ public:
	/*! \brief Swap1 instance constructor.		/*! \brief Swap1 instance constructor.
	*		*
	* \param lm: `int` Maximum field expansion order.		* \param lm: `int` Maximum field expansion order.
			* \param _nkv: `int` Number of vector coordinates. QUESTION: correct?
	*/		*/
	Swap1(int lm);		Swap1(int lm, int _nkv);

	/*! \brief Swap1 instance destroyer.		/*! \brief Swap1 instance destroyer.
	*/		*/
	~Swap1() { delete[] wk; }		~Swap1() { delete[] wk; }

			/*! \brief Append an element at the end of the vector.
			*/
			void append(std::complex<double> value) { wk[last_index++] = value; }

	/*! \brief Load a Swap1 instance from binary file.		/*! \brief Load a Swap1 instance from binary file.
	*		*
	* \param file_name: `string` Name of the file.		* \param file_name: `string` Name of the file.
	@@ -62,26 +69,23 @@ public:
	*/		*/
	static Swap1* from_binary(std::string file_name, std::string mode="LEGACY");		static Swap1* from_binary(std::string file_name, std::string mode="LEGACY");

	/*! \brief Get an element from the WK vector.
	*
	* \param index: `int` Index of the desired element.
	* \return value: `complex<double>` The value of the requested element.
	*/
	std::complex<double> get_element(int index) { return wk[index]; }

	/*! \brief Calculate the necessary amount of memory to create a new instance.		/*! \brief Calculate the necessary amount of memory to create a new instance.
	*		*
	* \param lm: `int` Maximum field expansion order.		* \param lm: `int` Maximum field expansion order.
			* \param _nkv: `int` Number of vector coordinates. QUESTION: correct?
	* \return size: `long` The necessary memory size in bytes.		* \return size: `long` The necessary memory size in bytes.
	*/		*/
	static long get_memory_requirement(int lm);		static long get_memory_requirement(int lm, int _nkv);

	/*! \brief Set an element in the WK vector.		/*! \brief Get the pointer to the WK vector.
	*		*
	* \param index: `int` Index of the desired element.		* \return value: `complex<double> *` Memory address of the WK vector.
	* \param value: `complex<double>` The value to be stored in the vector.		*/
			std::complex<double> *get_vector() { return wk; }

			/*! \brief Bring the pointer to the next element at the start of vector.
	*/		*/
	void set_element(int index, std::complex<double> value) { wk[index] = value; }		void reset() { last_index = 0; }

	/*! \brief Write a Swap1 instance to binary file.		/*! \brief Write a Swap1 instance to binary file.
	*		*
	@@ -184,13 +188,11 @@ public:
	*/		*/
	static Swap2* from_binary(std::string file_name, std::string mode="LEGACY");		static Swap2* from_binary(std::string file_name, std::string mode="LEGACY");

	/*! \brief Get an element from the VKZM matrix.		/*! \brief Get the pointer to the VKZM matrix.
	*		*
	* \param row: `int` Index of the desired element row.		* \return value: `double **` Pointer to the VKZM matrix.
	* \param col: `int` Index of the desired element column.
	* \return value: `double` The value of the requested element.
	*/		*/
	double get_matrix_element(int row, int col) { return vkzm[row][col]; }		double **get_matrix() { return vkzm; }

	/*! \brief Calculate the necessary amount of memory to create a new instance.		/*! \brief Calculate the necessary amount of memory to create a new instance.
	*		*
	@@ -206,20 +208,11 @@ public:
	*/		*/
	double get_param(std::string param_name);		double get_param(std::string param_name);

	/*! \brief Get an element from the VKV vector.		/*! \brief Get the pointer to the VKV vector.
	*		*
	* \param index: `int` Index of the desired element.		* \return value: `double *` Pointer to the VKV vector.
	* \return value: `double` The value of the requested element.
	*/		*/
	double get_vector_element(int index) { return vkv[index]; }		double *get_vector() { return vkv; }

	/*! \brief Set an element in the VKZM matrix.
	*
	* \param row: `int` Index of the desired element row.
	* \param col: `int` Index of the desired element column.
	* \param value: `double` The value of the element to be stored.
	*/
	void set_matrix_element(int row, int col, double value) { vkzm[row][col] = value; }

	/*! \brief Set a parameter by its name and value.		/*! \brief Set a parameter by its name and value.
	*		*
	@@ -228,13 +221,6 @@ public:
	*/		*/
	void set_param(std::string param_name, double value);		void set_param(std::string param_name, double value);

	/*! \brief Get an element from the VKV vector.
	*
	* \param index: `int` Index of the desired element.
	* \param value: `double` The value of element to be stored.
	*/
	void set_vector_element(int index, double value) { vkv[index] = value; }

	/*! \brief Write a Swap2 instance to binary file.		/*! \brief Write a Swap2 instance to binary file.
	*		*
	* \param file_name: `string` Name of the file.		* \param file_name: `string` Name of the file.
	@@ -355,13 +341,11 @@ public:
	*/		*/
	static TFRFME* from_binary(std::string file_name, std::string mode="LEGACY");		static TFRFME* from_binary(std::string file_name, std::string mode="LEGACY");

	/*! \brief Get an element from the WSUM matrix.		/*! \brief Get the pointer to the WSUM matrix.
	*		*
	* \param row: `int` Row index of the element to be read.		* \return value: `complex<double> **` Pointer to the WSUM matrix.
	* \param col: `int` Column index of the element to be read.
	* \return value: `complex<double>` The value of the requested element.
	*/		*/
	std::complex<double> get_matrix_element(int row, int col);		std::complex<double> **get_matrix() { return wsum; }

	/*! \brief Calculate the necessary amount of memory to create a new instance.		/*! \brief Calculate the necessary amount of memory to create a new instance.
	*		*
	@@ -385,34 +369,23 @@ public:
	*/		*/
	double get_param(std::string param_name);		double get_param(std::string param_name);

	/*! \brief Get the X coordinate of the computed point at given index.		/*! \brief Get the pointer to the X coordinates vector.
	*		*
	* \param index: `int` Index of the requested point.		* \return x: `double *` Pointer to X coordinates vector.
	* \return x: `double` X coordinate of the requested point.
	*/		*/
	double get_x(int index) { return xv[index]; }		double *get_x() { return xv; }

	/*! \brief Get the Y coordinate of the computed point at given index.		/*! \brief Get the pointer to the Y coordinates vector.
	*		*
	* \param index: `int` Index of the requested point.		* \return y: `double *` Pointer to Y coordinates vector.
	* \return y: `double` Y coordinate of the requested point.
	*/		*/
	double get_y(int index) { return yv[index]; }		double *get_y() { return yv; }

	/*! \brief Get the Z coordinate of the computed point at given index.		/*! \brief Get the pointer to the Z coordinates vector.
	*		*
	* \param index: `int` Index of the requested point.		* \return z: `double *` Pointer to Z coordinates vector.
	* \return z: `double` Z coordinate of the requested point.
	*/		*/
	double get_z(int index) { return zv[index]; }		double *get_z() { return zv; }

	/*! \brief Set an element in the WSUM matrix.
	*
	* \param row: `int` Row index of the element to be read.
	* \param col: `int` Column index of the element to be read.
	* \param value: `complex<double>` The value to be placed in the matrix.
	*/
	void set_matrix_element(int row, int col, std::complex<double> value);

	/*! \brief Set a configuration parameter.		/*! \brief Set a configuration parameter.
	*		*
	@@ -421,27 +394,6 @@ public:
	*/		*/
	void set_param(std::string param_name, double value);		void set_param(std::string param_name, double value);

	/*! \brief Set the X coordinate of the computed point at given index.
	*
	* \param index: `int` Index of the requested point.
	* \param value: `double` X coordinate of the requested point.
	*/
	void set_x(int index, double value) { xv[index] = value; }

	/*! \brief Set the Y coordinate of the computed point at given index.
	*
	* \param index: `int` Index of the requested point.
	* \param value: `double` Y coordinate of the requested point.
	*/
	void set_y(int index, double value) { yv[index] = value; }

	/*! \brief Set the Z coordinate of the computed point at given index.
	*
	* \param index: `int` Index of the requested point.
	* \param value: `double` Z coordinate of the requested point.
	*/
	void set_z(int index, double value) { zv[index] = value; }

	/*! \brief Write a trapping configuration instance to binary file.		/*! \brief Write a trapping configuration instance to binary file.
	*		*
	* \param file_name: `string` Name of the file.		* \param file_name: `string` Name of the file.

src/include/tra_subs.h

+16 −16

Original line number	Original line	Diff line number	Diff line
	@@ -90,19 +90,6 @@ void ffrf(
	double fffs, CIL cil, CCR *ccr		double fffs, CIL cil, CCR *ccr
	);		);

	/*! C++ porting of FFRT
	*
	* \param ac: Vector of complex. QUESTION: definition?
	* \param ws: Vector of complex. QUESTION: definition?
	* \param ffte: `double *`. QUESTION: definition?
	* \param ffts: `double *`. QUESTION: definition?
	* \param cil: `CIL *` Pointer to a CIL structure.
	*/
	void ffrt(
	std::complex<double> ac, std::complex<double> ws, double ffte, double ffts,
	CIL *cil
	);

	/*! C++ porting of FRFMER		/*! C++ porting of FRFMER
	*		*
	* \param nkv: `int` QUESTION: definition?		* \param nkv: `int` QUESTION: definition?
	@@ -119,12 +106,25 @@ void ffrt(
	* \param tt1: `Swap1 *` Pointer to first swap object.		* \param tt1: `Swap1 *` Pointer to first swap object.
	* \param tt2: `Swap2 *` Pointer to second swap object.		* \param tt2: `Swap2 *` Pointer to second swap object.
	*/		*/
	void frfmer(		std::complex<double> *frfmer(
	int nkv, double vkm, double vknmx, double apfafa, double tra,		int nkv, double vkm, double vknmx, double apfafa, double tra,
	double spd, double rir, double ftcn, int le, int lmode, double pmf,		double spd, double rir, double ftcn, int le, int lmode, double pmf,
	Swap1 tt1, Swap2 tt2		Swap1 tt1, Swap2 tt2
	);		);

			/*! C++ porting of FFRT
			*
			* \param ac: Vector of complex. QUESTION: definition?
			* \param ws: Vector of complex. QUESTION: definition?
			* \param ffte: `double *`. QUESTION: definition?
			* \param ffts: `double *`. QUESTION: definition?
			* \param cil: `CIL *` Pointer to a CIL structure.
			*/
			void ffrt(
			std::complex<double> ac, std::complex<double> ws, double ffte, double ffts,
			CIL *cil
			);

	/*! C++ porting of PWMALP		/*! C++ porting of PWMALP
	*		*
	* \param w: Matrix of complex. QUESTION: definition?		* \param w: Matrix of complex. QUESTION: definition?
	@@ -166,7 +166,7 @@ void sampoa(

	/*! C++ porting of WAMFF		/*! C++ porting of WAMFF
	*		*
	* \param tt1: `Swap1 *` Pointer to the swap object containing the WK vector.		* \param wk: `complex<double> *` QUESTION: definition?
	* \param x: `double`		* \param x: `double`
	* \param y: `double`		* \param y: `double`
	* \param z: `double`		* \param z: `double`
	@@ -180,6 +180,6 @@ void sampoa(
	* \param pmf: `double` QUESTION: definition?		* \param pmf: `double` QUESTION: definition?
	*/		*/
	void wamff(		void wamff(
	Swap1 *tt1, double x, double y, double z, int lm, double apfafa,		std::complex<double> *wk, double x, double y, double z, int lm, double apfafa,
	double tra, double spd, double rir, double ftcn, int lmode, double pmf		double tra, double spd, double rir, double ftcn, int lmode, double pmf
	);		);

src/libnptm/tfrfme.cpp

+61 −50

Original line number	Original line	Diff line number	Diff line
	@@ -28,9 +28,12 @@
	using namespace std;		using namespace std;

	// >>> START OF Swap1 CLASS IMPLEMENTATION <<<		// >>> START OF Swap1 CLASS IMPLEMENTATION <<<
	Swap1::Swap1(int lm) {		Swap1::Swap1(int lm, int _nkv) {
			nkv = _nkv;
	nlmmt = 2 * lm * (lm + 2);		nlmmt = 2 * lm * (lm + 2);
	wk = new complex<double>[nlmmt]();		const int size = nkv * nkv * nlmmt;
			wk = new complex<double>[size]();
			last_index = 0;
	}		}

	Swap1* Swap1::from_binary(string file_name, string mode) {		Swap1* Swap1::from_binary(string file_name, string mode) {
	@@ -53,20 +56,23 @@ Swap1* Swap1::from_hdf5(string file_name) {
	herr_t status = hdf_file->get_status();		herr_t status = hdf_file->get_status();
	double *elements;		double *elements;
	string str_type;		string str_type;
	int _nlmmt, lm, num_elements, index;		int _nlmmt, _nkv, lm, num_elements, index;
	complex<double> value;		complex<double> value;
			complex<double> *_wk = NULL;
	if (status == 0) {		if (status == 0) {
	status = hdf_file->read("NLMMT", "INT32", &_nlmmt);		status = hdf_file->read("NLMMT", "INT32", &_nlmmt);
			status = hdf_file->read("NKV", "INT32", &_nkv);
	lm = (int)((-2.0 + sqrt(4.0 + 2.0 * _nlmmt)) / 2.0);		lm = (int)((-2.0 + sqrt(4.0 + 2.0 * _nlmmt)) / 2.0);
	num_elements = 2 * _nlmmt;		num_elements = 2 * _nlmmt * _nkv * _nkv;
	instance = new Swap1(lm);		instance = new Swap1(lm, _nkv);
			_wk = instance->get_vector();
	elements = new double[num_elements]();		elements = new double[num_elements]();
	str_type = "FLOAT64_(" + to_string(num_elements) + ")";		str_type = "FLOAT64_(" + to_string(num_elements) + ")";
	status = hdf_file->read("WK", str_type, elements);		status = hdf_file->read("WK", str_type, elements);
	for (int wi = 0; wi < _nlmmt; wi++) {		for (int wi = 0; wi < num_elements / 2; wi++) {
	index = 2 * wi;		index = 2 * wi;
	value = complex<double>(elements[index], elements[index + 1]);		value = complex<double>(elements[index], elements[index + 1]);
	instance->set_element(wi, value);		_wk[wi] = value;
	} // wi loop		} // wi loop
	delete[] elements;		delete[] elements;
	status = hdf_file->close();		status = hdf_file->close();
	@@ -78,17 +84,21 @@ Swap1* Swap1::from_hdf5(string file_name) {
	Swap1* Swap1::from_legacy(string file_name) {		Swap1* Swap1::from_legacy(string file_name) {
	fstream input;		fstream input;
	Swap1 *instance = NULL;		Swap1 *instance = NULL;
	int _nlmmt, lm;		complex<double> *_wk = NULL;
			int _nlmmt, _nkv, lm;
	double rval, ival;		double rval, ival;
	input.open(file_name.c_str(), ios::in \| ios::binary);		input.open(file_name.c_str(), ios::in \| ios::binary);
	if (input.is_open()) {		if (input.is_open()) {
	input.read(reinterpret_cast<char *>(&_nlmmt), sizeof(int));		input.read(reinterpret_cast<char *>(&_nlmmt), sizeof(int));
	lm = (int)((-2.0 + sqrt(4.0 + 2.0 * _nlmmt)) / 2.0);		lm = (int)((-2.0 + sqrt(4.0 + 2.0 * _nlmmt)) / 2.0);
	instance = new Swap1(lm);		input.read(reinterpret_cast<char *>(&_nkv), sizeof(int));
	for (int j = 0; j < _nlmmt; j++) {		instance = new Swap1(lm, _nkv);
			_wk = instance->get_vector();
			int num_elements = _nlmmt * _nkv * _nkv;
			for (int j = 0; j < num_elements; j++) {
	input.read(reinterpret_cast<char *>(&rval), sizeof(double));		input.read(reinterpret_cast<char *>(&rval), sizeof(double));
	input.read(reinterpret_cast<char *>(&ival), sizeof(double));		input.read(reinterpret_cast<char *>(&ival), sizeof(double));
	instance->set_element(j, complex<double>(rval, ival));		_wk[j] = complex<double>(rval, ival);
	}		}
	input.close();		input.close();
	} else {		} else {
	@@ -97,9 +107,9 @@ Swap1* Swap1::from_legacy(string file_name) {
	return instance;		return instance;
	}		}

	long Swap1::get_memory_requirement(int lm) {		long Swap1::get_memory_requirement(int lm, int _nkv) {
	long size = (long)sizeof(int);		long size = (long)(3 * sizeof(int));
	size += (long)(sizeof(complex<double>) * 2 * lm * (lm + 2));		size += (long)(sizeof(complex<double>) * 2 * lm * (lm + 2) * _nkv * _nkv);
	return size;		return size;
	}		}

	@@ -120,15 +130,18 @@ void Swap1::write_hdf5(string file_name) {
	List<void *> rec_ptr_list(1);		List<void *> rec_ptr_list(1);
	herr_t status;		herr_t status;
	string str_type;		string str_type;
	int num_elements = 2 * nlmmt;		int num_elements = 2 * nlmmt * nkv * nkv;
	rec_name_list.set(0, "NLMMT");		rec_name_list.set(0, "NLMMT");
	rec_type_list.set(0, "INT32_(1)");		rec_type_list.set(0, "INT32_(1)");
	rec_ptr_list.set(0, &nlmmt);		rec_ptr_list.set(0, &nlmmt);
			rec_name_list.append("NKV");
			rec_type_list.append("INT32_(1)");
			rec_ptr_list.append(&nkv);
	rec_name_list.append("WK");		rec_name_list.append("WK");
	str_type = "FLOAT64_(" + to_string(num_elements) + ")";		str_type = "FLOAT64_(" + to_string(num_elements) + ")";
	rec_type_list.append(str_type);		rec_type_list.append(str_type);
	double *ptr_elements = new double[num_elements]();		double *ptr_elements = new double[num_elements]();
	for (int wi = 0; wi < nlmmt; wi++) {		for (int wi = 0; wi < num_elements / 2; wi++) {
	ptr_elements[2 * wi] = wk[wi].real();		ptr_elements[2 * wi] = wk[wi].real();
	ptr_elements[2 * wi + 1] = wk[wi].imag();		ptr_elements[2 * wi + 1] = wk[wi].imag();
	}		}
	@@ -156,8 +169,10 @@ void Swap1::write_legacy(string file_name) {
	double rval, ival;		double rval, ival;
	output.open(file_name.c_str(), ios::out \| ios::binary);		output.open(file_name.c_str(), ios::out \| ios::binary);
	if (output.is_open()) {		if (output.is_open()) {
			int num_elements = nlmmt * nkv * nkv;
	output.write(reinterpret_cast<char *>(&nlmmt), sizeof(int));		output.write(reinterpret_cast<char *>(&nlmmt), sizeof(int));
	for (int j = 0; j < nlmmt; j++) {		output.write(reinterpret_cast<char *>(&nkv), sizeof(int));
			for (int j = 0; j < num_elements; j++) {
	rval = wk[j].real();		rval = wk[j].real();
	ival = wk[j].imag();		ival = wk[j].imag();
	output.write(reinterpret_cast<char *>(&rval), sizeof(double));		output.write(reinterpret_cast<char *>(&rval), sizeof(double));
	@@ -173,7 +188,11 @@ bool Swap1::operator ==(Swap1 &other) {
	if (nlmmt != other.nlmmt) {		if (nlmmt != other.nlmmt) {
	return false;		return false;
	}		}
	for (int i = 0; i < nlmmt; i++) {		if (nkv != other.nkv) {
			return false;
			}
			const int num_elements = nlmmt * nkv * nkv;
			for (int i = 0; i < num_elements; i++) {
	if (wk[i] != other.wk[i]) {		if (wk[i] != other.wk[i]) {
	return false;		return false;
	}		}
	@@ -260,19 +279,23 @@ Swap2* Swap2::from_legacy(string file_name) {
	fstream input;		fstream input;
	Swap2 *instance = NULL;		Swap2 *instance = NULL;
	int _nkv, _nlmmt, _nrvc;		int _nkv, _nlmmt, _nrvc;
			double **_vkzm = NULL;
			double *_vkv = NULL;
	double value;		double value;
	input.open(file_name.c_str(), ios::in \| ios::binary);		input.open(file_name.c_str(), ios::in \| ios::binary);
	if (input.is_open()) {		if (input.is_open()) {
	input.read(reinterpret_cast<char *>(&_nkv), sizeof(int));		input.read(reinterpret_cast<char *>(&_nkv), sizeof(int));
	instance = new Swap2(_nkv);		instance = new Swap2(_nkv);
			_vkzm = instance->get_matrix();
			_vkv = instance->get_vector();
	for (int vj = 0; vj < _nkv; vj++) {		for (int vj = 0; vj < _nkv; vj++) {
	input.read(reinterpret_cast<char *>(&value), sizeof(double));		input.read(reinterpret_cast<char *>(&value), sizeof(double));
	instance->set_vector_element(vj, value);		_vkv[vj] = value;
	}		}
	for (int mi = 0; mi < _nkv; mi++) {		for (int mi = 0; mi < _nkv; mi++) {
	for (int mj = 0; mj < _nkv; mj++) {		for (int mj = 0; mj < _nkv; mj++) {
	input.read(reinterpret_cast<char *>(&value), sizeof(double));		input.read(reinterpret_cast<char *>(&value), sizeof(double));
	instance->set_matrix_element(mi, mj, value);		_vkzm[mi][mj] = value;
	}		}
	}		}
	input.read(reinterpret_cast<char *>(&value), sizeof(double));		input.read(reinterpret_cast<char *>(&value), sizeof(double));
	@@ -589,10 +612,11 @@ TFRFME* TFRFME::from_hdf5(string file_name) {
	unsigned int flags = H5F_ACC_RDONLY;		unsigned int flags = H5F_ACC_RDONLY;
	HDFFile *hdf_file = new HDFFile(file_name, flags);		HDFFile *hdf_file = new HDFFile(file_name, flags);
	herr_t status = hdf_file->get_status();		herr_t status = hdf_file->get_status();
	double coord_vec, elements;		double *elements;
	string str_type;		string str_type;
	int _nlmmt, _nrvc, num_elements;		int _nlmmt, _nrvc, num_elements;
	complex<double> value;		complex<double> value;
			complex<double> **_wsum = NULL;
	if (status == 0) {		if (status == 0) {
	int lmode, lm, nkv, nxv, nyv, nzv;		int lmode, lm, nkv, nxv, nyv, nzv;
	double vk, exri, an, ff, tra, spd, frsh, exril;		double vk, exri, an, ff, tra, spd, frsh, exril;
	@@ -611,6 +635,7 @@ TFRFME* TFRFME::from_hdf5(string file_name) {
	status = hdf_file->read("FRSH", "FLOAT64", &frsh);		status = hdf_file->read("FRSH", "FLOAT64", &frsh);
	status = hdf_file->read("EXRIL", "FLOAT64", &exril);		status = hdf_file->read("EXRIL", "FLOAT64", &exril);
	instance = new TFRFME(lmode, lm, nkv, nxv, nyv, nzv);		instance = new TFRFME(lmode, lm, nkv, nxv, nyv, nzv);
			_wsum = instance->get_matrix();
	instance->set_param("vk", vk);		instance->set_param("vk", vk);
	instance->set_param("exri", exri);		instance->set_param("exri", exri);
	instance->set_param("an", an);		instance->set_param("an", an);
	@@ -621,24 +646,12 @@ TFRFME* TFRFME::from_hdf5(string file_name) {
	instance->set_param("exril", exril);		instance->set_param("exril", exril);
	// Vectors and matrix need to be copied element-wise and		// Vectors and matrix need to be copied element-wise and
	// subsequently deleted.		// subsequently deleted.
	coord_vec = new double[nxv]();
	str_type = "FLOAT64_(" + to_string(nxv) + ")";		str_type = "FLOAT64_(" + to_string(nxv) + ")";
	status = hdf_file->read("XVEC", str_type, coord_vec);		status = hdf_file->read("XVEC", str_type, instance->xv);
	for (int xi = 0; xi < nxv; xi++)
	instance->set_x(xi, coord_vec[xi]);
	delete[] coord_vec;
	coord_vec = new double[nyv]();
	str_type = "FLOAT64_(" + to_string(nyv) + ")";		str_type = "FLOAT64_(" + to_string(nyv) + ")";
	status = hdf_file->read("YVEC", str_type, coord_vec);		status = hdf_file->read("YVEC", str_type, instance->yv);
	for (int yi = 0; yi < nyv; yi++)
	instance->set_y(yi, coord_vec[yi]);
	delete[] coord_vec;
	coord_vec = new double[nzv]();
	str_type = "FLOAT64_(" + to_string(nzv) + ")";		str_type = "FLOAT64_(" + to_string(nzv) + ")";
	status = hdf_file->read("ZVEC", str_type, coord_vec);		status = hdf_file->read("ZVEC", str_type, instance->zv);
	for (int zi = 0; zi < nzv; zi++)
	instance->set_z(zi, coord_vec[zi]);
	delete[] coord_vec;
	_nlmmt = 2 * lm * (lm + 2);		_nlmmt = 2 * lm * (lm + 2);
	_nrvc = nxv * nyv * nzv;		_nrvc = nxv * nyv * nzv;
	num_elements = 2 * _nlmmt * _nrvc;		num_elements = 2 * _nlmmt * _nrvc;
	@@ -649,7 +662,7 @@ TFRFME* TFRFME::from_hdf5(string file_name) {
	for (int wj = 0; wj < _nrvc; wj++) {		for (int wj = 0; wj < _nrvc; wj++) {
	int index = (2 * _nrvc) * wi + 2 * wj;		int index = (2 * _nrvc) * wi + 2 * wj;
	value = complex<double>(elements[index], elements[index + 1]);		value = complex<double>(elements[index], elements[index + 1]);
	instance->set_matrix_element(wi, wj, value);		_wsum[wi][wj] = value;
	} // wj loop		} // wj loop
	} // wi loop		} // wi loop
	delete[] elements;		delete[] elements;
	@@ -662,6 +675,8 @@ TFRFME* TFRFME::from_hdf5(string file_name) {
	TFRFME* TFRFME::from_legacy(string file_name) {		TFRFME* TFRFME::from_legacy(string file_name) {
	fstream input;		fstream input;
	TFRFME *instance = NULL;		TFRFME *instance = NULL;
			complex<double> **_wsum = NULL;
			double *coord_vec = NULL;
	input.open(file_name.c_str(), ios::in \| ios::binary);		input.open(file_name.c_str(), ios::in \| ios::binary);
	if (input.is_open()) {		if (input.is_open()) {
	int lmode, lm, nkv, nxv, nyv, nzv;		int lmode, lm, nkv, nxv, nyv, nzv;
	@@ -682,6 +697,7 @@ TFRFME* TFRFME::from_legacy(string file_name) {
	input.read(reinterpret_cast<char *>(&frsh), sizeof(double));		input.read(reinterpret_cast<char *>(&frsh), sizeof(double));
	input.read(reinterpret_cast<char *>(&exril), sizeof(double));		input.read(reinterpret_cast<char *>(&exril), sizeof(double));
	instance = new TFRFME(lmode, lm, nkv, nxv, nyv, nzv);		instance = new TFRFME(lmode, lm, nkv, nxv, nyv, nzv);
			_wsum = instance->get_matrix();
	instance->set_param("vk", vk);		instance->set_param("vk", vk);
	instance->set_param("exri", exri);		instance->set_param("exri", exri);
	instance->set_param("an", an);		instance->set_param("an", an);
	@@ -690,17 +706,20 @@ TFRFME* TFRFME::from_legacy(string file_name) {
	instance->set_param("spd", spd);		instance->set_param("spd", spd);
	instance->set_param("frsh", frsh);		instance->set_param("frsh", frsh);
	instance->set_param("exril", exril);		instance->set_param("exril", exril);
			coord_vec = instance->get_x();
	for (int xi = 0; xi < nxv; xi++) {		for (int xi = 0; xi < nxv; xi++) {
	input.read(reinterpret_cast<char *>(&dval), sizeof(double));		input.read(reinterpret_cast<char *>(&dval), sizeof(double));
	instance->set_x(xi, dval);		coord_vec[xi] = dval;
	}		}
			coord_vec = instance->get_y();
	for (int yi = 0; yi < nyv; yi++) {		for (int yi = 0; yi < nyv; yi++) {
	input.read(reinterpret_cast<char *>(&dval), sizeof(double));		input.read(reinterpret_cast<char *>(&dval), sizeof(double));
	instance->set_y(yi, dval);		coord_vec[yi] = dval;
	}		}
			coord_vec = instance->get_z();
	for (int zi = 0; zi < nzv; zi++) {		for (int zi = 0; zi < nzv; zi++) {
	input.read(reinterpret_cast<char *>(&dval), sizeof(double));		input.read(reinterpret_cast<char *>(&dval), sizeof(double));
	instance->set_z(zi, dval);		coord_vec[zi] = dval;
	}		}
	int _nlmmt = 2 * lm * (lm + 2);		int _nlmmt = 2 * lm * (lm + 2);
	int _nrvc = nxv * nyv * nzv;		int _nrvc = nxv * nyv * nzv;
	@@ -709,7 +728,7 @@ TFRFME* TFRFME::from_legacy(string file_name) {
	input.read(reinterpret_cast<char *>(&rval), sizeof(double));		input.read(reinterpret_cast<char *>(&rval), sizeof(double));
	input.read(reinterpret_cast<char *>(&ival), sizeof(double));		input.read(reinterpret_cast<char *>(&ival), sizeof(double));
	complex<double> value(rval, ival);		complex<double> value(rval, ival);
	instance->set_matrix_element(wi, wj, value);		_wsum[wi][wj] = value;
	} // wj loop		} // wj loop
	} // wi loop		} // wi loop
	input.close();		input.close();
	@@ -719,10 +738,6 @@ TFRFME* TFRFME::from_legacy(string file_name) {
	return instance;		return instance;
	}		}

	std::complex<double> TFRFME::get_matrix_element(int row, int col) {
	return wsum[row][col];
	}

	long TFRFME::get_memory_requirement(		long TFRFME::get_memory_requirement(
	int _lmode, int _lm, int _nkv, int _nxv,		int _lmode, int _lm, int _nkv, int _nxv,
	int _nyv, int _nzv		int _nyv, int _nzv
	@@ -758,10 +773,6 @@ double TFRFME::get_param(string param_name) {
	return value;		return value;
	}		}

	void TFRFME::set_matrix_element(int row, int col, complex<double> value) {
	wsum[row][col] = value;
	}

	void TFRFME::set_param(string param_name, double value) {		void TFRFME::set_param(string param_name, double value) {
	if (param_name.compare("vk") == 0) vk = value;		if (param_name.compare("vk") == 0) vk = value;
	else if (param_name.compare("exri") == 0) exri = value;		else if (param_name.compare("exri") == 0) exri = value;
	@@ -814,7 +825,7 @@ void TFRFME::write_hdf5(string file_name) {
	rec_ptr_list.append(&nzv);		rec_ptr_list.append(&nzv);
	rec_name_list.append("VK");		rec_name_list.append("VK");
	rec_type_list.append("FLOAT64_(1)");		rec_type_list.append("FLOAT64_(1)");
	rec_ptr_list.append(&lm);		rec_ptr_list.append(&vk);
	rec_name_list.append("EXRI");		rec_name_list.append("EXRI");
	rec_type_list.append("FLOAT64_(1)");		rec_type_list.append("FLOAT64_(1)");
	rec_ptr_list.append(&exri);		rec_ptr_list.append(&exri);

src/libnptm/tra_subs.cpp

+40 −45

Original line number	Original line	Diff line number	Diff line
	@@ -244,7 +244,7 @@ void ffrt(
	delete[] ctqcs;		delete[] ctqcs;
	}		}

	void frfmer(		complex<double> *frfmer(
	int nkv, double vkm, double vknmx, double apfafa, double tra,		int nkv, double vkm, double vknmx, double apfafa, double tra,
	double spd, double rir, double ftcn, int le, int lmode, double pmf,		double spd, double rir, double ftcn, int le, int lmode, double pmf,
	Swap1 tt1, Swap2 tt2		Swap1 tt1, Swap2 tt2
	@@ -252,39 +252,32 @@ void frfmer(
	const int nlemt = le * (le + 2) * 2;		const int nlemt = le * (le + 2) * 2;
	const complex<double> cc0(0.0, 0.0);		const complex<double> cc0(0.0, 0.0);
	double sq = vkm * vkm;		double sq = vkm * vkm;
			double *_vkv = tt2->get_vector();
			double **_vkzm = tt2->get_matrix();
			complex<double> *wk = new complex<double>[nlemt]();
	for (int jy90 = 0; jy90 < nkv; jy90++) {		for (int jy90 = 0; jy90 < nkv; jy90++) {
	double vky = tt2->get_vector_element(jy90);		double vky = _vkv[jy90];
	double sqy = vky * vky;		double sqy = vky * vky;
	for (int jx80 = 0; jx80 < nkv; jx80++) {		for (int jx80 = 0; jx80 < nkv; jx80++) {
	double vkx = tt2->get_vector_element(jx80);		double vkx = _vkv[jx80];
	double sqx = vkx * vkx;		double sqx = vkx * vkx;
	double sqn = sqx + sqy;		double sqn = sqx + sqy;
	double vkn = sqrt(sqn);		double vkn = sqrt(sqn);
	if (vkn <= vknmx) {		if (vkn <= vknmx) {
	double vkz = sqrt(sq - sqn);		double vkz = sqrt(sq - sqn);
	wamff(tt1, vkx, vky, vkz, le, apfafa, tra, spd, rir, ftcn, lmode, pmf);		wamff(wk, vkx, vky, vkz, le, apfafa, tra, spd, rir, ftcn, lmode, pmf);
	/*for (int j = 0; j < nlemt; j++) {		for (int j = 0; j < nlemt; j++) tt1->append(wk[j]);
	double vreal = wk[j].real();
	double vimag = wk[j].imag();
	tt1.write(reinterpret_cast<char *>(&vreal), sizeof(double));
	tt1.write(reinterpret_cast<char *>(&vimag), sizeof(double));
	}*/
	//tt2.write(reinterpret_cast<char *>(&vkz), sizeof(double));		//tt2.write(reinterpret_cast<char *>(&vkz), sizeof(double));
	tt2->set_matrix_element(jx80, jy90, vkz);		_vkzm[jx80][jy90] = vkz;
	} else { // label 50		} else { // label 50
	for (int j = 0; j < nlemt; j++) {		for (int j = 0; j < nlemt; j++) tt1->append(cc0);
	//double vreal = 0.0;
	//double vimag = 0.0;
	//tt1.write(reinterpret_cast<char *>(&vreal), sizeof(double));
	//tt1.write(reinterpret_cast<char *>(&vimag), sizeof(double));
	tt1->set_element(j, cc0);
	}
	//double vkz = 0.0;		//double vkz = 0.0;
	//tt2.write(reinterpret_cast<char *>(&vkz), sizeof(double));		//tt2.write(reinterpret_cast<char *>(&vkz), sizeof(double));
	tt2->set_matrix_element(jx80, jy90, 0.0);		_vkzm[jx80][jy90] = 0.0;
	}		}
	} // jx80 loop		} // jx80 loop
	} // jy90 loop		} // jy90 loop
			return wk;
	}		}

	void pwmalp(std::complex<double> *w, double up, double un, std::complex<double> ylm, int lw) {		void pwmalp(std::complex<double> *w, double up, double un, std::complex<double> ylm, int lw) {
	@@ -369,7 +362,7 @@ void sampoa(
	}		}

	void wamff(		void wamff(
	Swap1 *tt1, double x, double y, double z, int lm, double apfafa,		complex<double> *wk, double x, double y, double z, int lm, double apfafa,
	double tra, double spd, double rir, double ftcn, int lmode, double pmf		double tra, double spd, double rir, double ftcn, int lmode, double pmf
	) {		) {
	const int nlmm = lm * (lm + 2);		const int nlmm = lm * (lm + 2);
	@@ -389,27 +382,29 @@ void wamff(
	bool onx = (y == 0.0);		bool onx = (y == 0.0);
	bool ony = (x == 0.0);		bool ony = (x == 0.0);
	bool onz = (onx && ony);		bool onz = (onx && ony);
	if (!(onz && onx && ony)) {		if (!onz) {
			if (!onx) {
			if (!ony) {
	rho = sqrt(x * x + y * y);		rho = sqrt(x * x + y * y);
	cph = x / rho;		cph = x / rho;
	sph = y / rho;		sph = y / rho;
	} else {		// goes to 15
	if (onz) { // label 10		} else { // label 13
	cph = 1.0;		rho = (y < 0.0) ? -y : y;
	sph = 0.0;
	} else {
	if (onx) { // label 12
	rho = sqrt(x * x);
	cph = (x < 0.0)? -1.0 : 1.0;
	sph = 0.0;
	} else {
	if (ony) { // label 13
	rho = sqrt(y * y);
	cph = 0.0;		cph = 0.0;
	sph = (y < 0.0) ? -1.0 : 1.0;		sph = (y < 0.0) ? -1.0 : 1.0;
			// goes to 15
	}		}
			} else { // label 12
			rho = (x < 0.0) ? -x : x;
			cph = (x < 0.0) ? -1.0 : 1.0;
			sph = 0.0;
			// goes to 15
	}		}
	}		} else { // label 10
			cph = 1.0;
			sph = 0.0;
			// goes to 15
	}		}
	// label 15		// label 15
	if (z == 0.0) {		if (z == 0.0) {
	@@ -464,13 +459,13 @@ void wamff(
	} else if (lmode == 2) { // label 50		} else if (lmode == 2) { // label 50
	ftc1 = 2.0 * cthl / (cthl * rir + cth);		ftc1 = 2.0 * cthl / (cthl * rir + cth);
	cfam = (sth pmf * ftc1);		cfam = (sth pmf * ftc1);
	for (int i52 = 0; i52 < nlmmt; i52++) tt1->set_element(i52, w[i52][0] * cfam);		for (int i52 = 0; i52 < nlmmt; i52++) wk[i52] = w[i52][0] * cfam;
	// returns		// returns
	skip62 = true;		skip62 = true;
	} else if (lmode == 3) { // label 53		} else if (lmode == 3) { // label 53
	ftc2 = 2.0 * cthl / (cthl + cth * rir);		ftc2 = 2.0 * cthl / (cthl + cth * rir);
	cfam = (sth pmf * ftc2);		cfam = (sth pmf * ftc2);
	for (int i55 = 0; i55 < nlmmt; i55++) tt1->set_element(i55, w[i55][1] * cfam);		for (int i55 = 0; i55 < nlmmt; i55++) wk[i55] = w[i55][1] * cfam;
	// returns		// returns
	skip62 = true;		skip62 = true;
	}		}
	@@ -485,7 +480,7 @@ void wamff(
	if (lmode == 0) {		if (lmode == 0) {
	double f1 = cph * fam;		double f1 = cph * fam;
	double f2 = -sph * fam;		double f2 = -sph * fam;
	for (int i58 = 0; i58 < nlmmt; i58++) tt1->set_element(i58, w[i58][0] * f1 + w[i58][1] * f2);		for (int i58 = 0; i58 < nlmmt; i58++) wk[i58] = w[i58][0] * f1 + w[i58][1] * f2;
	// returns		// returns
	skip62 = true;		skip62 = true;
	} else if (lmode == 1) { // label 60		} else if (lmode == 1) { // label 60
	@@ -496,19 +491,19 @@ void wamff(
	skip62 = false;		skip62 = false;
	} else if (lmode == 2) { // label 65		} else if (lmode == 2) { // label 65
	fam = (pmf sth);		fam = (pmf sth);
	for (int i67 = 0; i67 < nlmmt; i67++) tt1->set_element(i67, w[i67][0] * fam);		for (int i67 = 0; i67 < nlmmt; i67++) wk[i67] = w[i67][0] * fam;
	// returns		// returns
	skip62 = true;		skip62 = true;
	} else if (lmode == 3) { // label 68		} else if (lmode == 3) { // label 68
	fam = (pmf sth);		fam = (pmf sth);
	for (int i70 = 0; i70 < nlmmt; i70++) tt1->set_element(i70, w[i70][1] * fam);		for (int i70 = 0; i70 < nlmmt; i70++) wk[i70] = w[i70][1] * fam;
	// returns		// returns
	skip62 = true;		skip62 = true;
	}		}
	}		}
	if (!skip62) {		if (!skip62) {
	if (lmode == 0 \|\| lmode == 1) { // label 62		if (lmode == 0 \|\| lmode == 1) { // label 62
	for (int i63 = 0; i63 < nlmmt; i63++) tt1->set_element(i63, w[i63][0] * cf1 + w[i63][1] * cf2);		for (int i63 = 0; i63 < nlmmt; i63++) wk[i63] = w[i63][0] * cf1 + w[i63][1] * cf2;
	}		}
	}		}
	}		}

src/trapping/cfrfme.cpp

+36 −25

File changed.

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