Expand description
Numerical kernels for powder diffraction profile calculation.
This crate is deliberately unaware of refinement projects, phases, files, and GSAS-II data structures. It operates on explicit parameters and flat numeric slices.
Re-exports§
pub use background::BackgroundError;pub use background::smooth_bruckner;pub use cw::ConstantWavelengthInstrument;pub use cw::CwBatchError;pub use cw::CwError;pub use cw::CwProfileParameters;pub use cw::CwReflectionBatchView;pub use cw::accumulate_cw_batch;pub use cw_components::CwComponentsBatchError;pub use cw_components::accumulate_cw_components_batch;pub use cw_components::accumulate_cw_fcj_components_batch;pub use cw_contributions::CwContributionArrays;pub use cw_contributions::CwContributionsError;pub use cw_contributions::CwContributionsView;pub use cw_contributions::OwnedCwContributionArrays;pub use cw_contributions::OwnedCwContributions;pub use cw_contributions::accumulate_cw_contributions_batch;pub use cw_contributions::accumulate_cw_contributions_batch_with_context;pub use cw_contributions::accumulate_cw_fcj_contributions_batch;pub use cw_contributions::accumulate_cw_fcj_contributions_batch_with_context;pub use cw_fcj::CwFcjBatchError;pub use cw_fcj::accumulate_cw_fcj_batch;pub use fcj::FcjError;pub use fcj::FcjGeometry;pub use fcj::FcjProfile;pub use fcj::FcjProfilePoint;pub use profile::Accumulation;pub use profile::DenseJacobian;pub use profile::GridView;pub use profile::PatternDerivatives;pub use profile::Peak;pub use profile::PeakBatchView;pub use profile::ProfileError;pub use profile::ProfilePoint;pub use profile::SupportJacobian;pub use profile::SupportPolicy;pub use profile::SupportRange;pub use profile::accumulate_batch;pub use profile::accumulate_peaks;pub use profile::accumulate_values_batch;pub use profile::symmetric_pseudo_voigt;pub use radiation::WavelengthComponentsError;pub use radiation::WavelengthComponentsView;pub use tch::TchError;pub use tch::TchPeakBatchView;pub use tch::TchProfilePoint;pub use tch::TchShape;pub use tch::TchWidths;pub use tch::accumulate_tch_batch;pub use tch::tch_pseudo_voigt;pub use tof::TOF_GLOBAL_PARAMETER_COUNT;pub use tof::TofError;pub use tof::TofInstrument;pub use tof::TofProfile;pub use tof::TofProfileParameters;pub use tof::TofProfilePoint;pub use tof::accumulate_tof_batch;pub use tof::accumulate_tof_batch_with_context;
Modules§
- background
- Deterministic background-estimation kernels.
- cw
- Constant-wavelength U/V/W/X/Y profile broadening.
- cw_
components - Fused CW wavelength-component accumulation with optional FCJ asymmetry.
- cw_
contributions - CW accumulation with externally prepared sample-physics contributions.
- cw_fcj
- Single-wavelength compatibility wrapper for CW plus FCJ accumulation.
- fcj
- Finger-Cox-Jephcoat axial-divergence convolution.
- profile
- Symmetric pseudo-Voigt profile and fused peak accumulation.
- radiation
- Wavelength-component models for constant-wavelength radiation.
- tch
- Thompson-Cox-Hastings component-width transform and symmetric profile.
- tof
- Neutron time-of-flight calibration, profile parameters, and accumulation.