Struct InputFileData

• Defined in File NuMagSANSlib_InputFileInterpreter.h

Struct Documentation

struct InputFileData

Central configuration container for a NuMagSANS simulation run.

This structure stores all parameters parsed from the user input file, including geometry, discretization, physical constants, polarization settings, and output control flags.

Public Members

string NucDataPath

Path to nuclear real-space data directory.

string MagDataPath

Path to magnetic real-space data directory.

string StructDataFilename

CSV file containing structural information.

string RotDataFilename

CSV file containing rotational information.

string StructDataPath = ""

Directory containing StructData_1.csv, StructData_2.csv, … files.

string RotDataPath = ""

Directory containing RotData_1.csv, RotData_2.csv, … files.

string RotDataConvention = "zyz"

Euler-axis convention used to interpret the three RotData angles.

string RotMatConvention = "zyz"

Euler-axis convention used to interpret the three global RotMat angles.

bool FastLoad_flag = false

Skip repeated MagData dimension checks for faster data import.

bool NucData_ReplicationImport_flag = false

Replicate a single local nuclear object during import.

int NucData_NumberOfReplications = 1

Effective number of nuclear objects generated from the single template object.

bool MagData_ReplicationImport_flag = false

Replicate a single local magnetic object during import.

int MagData_NumberOfReplications = 1

Effective number of magnetic objects generated from the single template object.

string SANSDataFoldername

Output directory for computed SANS data.

string SANSData_Output_Format = "csv"

Output backend for scattering data (“csv” or “hdf5”)

string Fourier_Approach

Fourier computation approach (e.g., “Direct”, “FFT”)

bool Loop_Modus

Activate loop mode over dataset indices.

bool RotDataLoop_flag = false

Activate inner loop mode over rotation data files.

bool StructDataLoop_flag = false

Activate inner loop mode over structure data files.

int Loop_From

Starting index for loop mode.

int Loop_To

Final index for loop mode.

int RotDataLoop_From = 1

Starting index for rotation data loop mode.

int RotDataLoop_To = 1

Final index for rotation data loop mode.

int StructDataLoop_From = 1

Starting index for structure data loop mode.

int StructDataLoop_To = 1

Final index for structure data loop mode.

string StructData_User_Selection

User-defined structure-data selection string.

std::vector<int> StructDataLoop_IndexArray

Parsed structure-data index list.

string RotData_User_Selection

User-defined rotation-data selection string.

std::vector<int> RotDataLoop_IndexArray

Parsed rotation-data index list.

string User_Selection

User-defined dataset selection string.

std::vector<int> User_Selection_IndexArray

Parsed dataset index list.

int N_q

Number of q-points.

int N_theta

Number of azimuthal angles.

int N_r

Number of radial points for correlation functions.

int N_alpha

Number of angular alpha points.

float q_min = 0.0

Minimum scattering vector magnitude [1/nm].

float q_max

Maximum scattering vector magnitude [1/nm].

float r_max

Maximum real-space radius [nm].

float Scattering_Volume_V

Total scattering volume [nm^3].

float cell_nuclear_sld

Nuclear scattering length density of a cell.

float cell_magnetization

Saturation magnetization per cell.

float cuboid_cell_size_x

Cuboid cell size in x-direction [nm].

float cuboid_cell_size_y

Cuboid cell size in y-direction [nm].

float cuboid_cell_size_z

Cuboid cell size in z-direction [nm].

float RotMat_alpha

First global Euler rotation angle [degree].

float RotMat_beta

Second global Euler rotation angle [degree].

float RotMat_gamma = 0.0f

Third global Euler rotation angle [degree].

float RotMat[9]

3x3 rotation matrix (column-major)

float XYZ_Unit_Factor

Unit conversion factor for coordinate scaling.

float Polarization[3]

Polarization vector (Px, Py, Pz)

bool NucData_activate_flag

Enable nuclear data input.

bool MagData_activate_flag

Enable magnetic data input.

bool StructData_activate_flag

Enable structural data input.

bool RotData_activate_flag

Enable rotation data input.

bool ExcludeZeroMoments_flag

Exclude zero-moment cells from computation.

bool Check_InputFile_Flag

Validate input file before execution.

int k_max

Maximum Fourier summation index.

bool AngularSpec_activate_flag

Activate angular spectrum evaluation.

bool output_fourier_correlation_matrix_flag

Output full Fourier correlation matrix.

OutFlagQuant OutFlags = {}