Initial commit
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//! FEM stiffness matrix assembly for head modeling.
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//!
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//! Provides element-wise and global assembly of finite element
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//! stiffness matrices using sparse matrix storage.
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use crate::conductivity::{ConductivityTensor, TissueConductivity};
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use crate::error::{FemError, FemResult};
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use crate::mesh::{HeadMesh, TetElement};
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use nalgebra::{Matrix4, Vector3};
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use ndarray::Array2;
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use rayon::prelude::*;
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use serde::{Deserialize, Serialize};
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use sprs::{CsMatI, TriMat};
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/// Element stiffness matrix (4x4 for linear tetrahedron)
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#[derive(Debug, Clone)]
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pub struct ElementStiffness {
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/// Element index
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pub element_idx: usize,
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/// Local stiffness matrix (4x4)
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pub matrix: Matrix4<f64>,
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/// Global node indices
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pub node_indices: [usize; 4],
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}
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impl ElementStiffness {
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/// Compute element stiffness matrix
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///
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/// For a linear tetrahedral element:
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/// Ke[i,j] = ∫ (∇Ni)^T · σ · (∇Nj) dV
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/// = V * (∇Ni)^T · σ · (∇Nj) (constant for linear elements)
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pub fn compute(elem: &TetElement, mesh: &HeadMesh, conductivity: &ConductivityTensor) -> Self {
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let grads = elem.shape_gradients(&mesh.nodes);
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let sigma = &conductivity.tensor;
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let vol = elem.volume;
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let mut ke = Matrix4::zeros();
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for i in 0..4 {
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for j in 0..4 {
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// Ke[i,j] = V * grad(Ni)^T * σ * grad(Nj)
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let grad_i = &grads[i];
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let grad_j = &grads[j];
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ke[(i, j)] = vol * grad_i.dot(&(sigma * grad_j));
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}
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}
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Self {
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element_idx: elem.id,
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matrix: ke,
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node_indices: elem.nodes,
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}
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}
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}
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/// Global sparse stiffness matrix in CSR format
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#[derive(Debug, Clone, Serialize, Deserialize)]
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pub struct StiffnessMatrix {
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/// Number of rows (nodes)
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pub n_rows: usize,
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/// Number of columns (nodes)
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pub n_cols: usize,
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/// CSR row pointers
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pub row_ptr: Vec<usize>,
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/// CSR column indices
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pub col_idx: Vec<usize>,
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/// CSR values
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pub values: Vec<f64>,
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}
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impl StiffnessMatrix {
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/// Create from sprs CSR matrix
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pub fn from_csr(csr: &CsMatI<f64, usize>) -> Self {
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Self {
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n_rows: csr.rows(),
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n_cols: csr.cols(),
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row_ptr: csr.indptr().as_slice().unwrap().to_vec(),
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col_idx: csr.indices().to_vec(),
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values: csr.data().to_vec(),
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}
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}
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/// Convert to sprs CSR matrix
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pub fn to_csr(&self) -> CsMatI<f64, usize> {
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CsMatI::new(
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(self.n_rows, self.n_cols),
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self.row_ptr.clone(),
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self.col_idx.clone(),
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self.values.clone(),
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)
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}
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/// Number of non-zeros
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pub fn nnz(&self) -> usize {
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self.values.len()
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}
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/// Sparsity ratio (nnz / n_elements)
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pub fn sparsity(&self) -> f64 {
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let total = (self.n_rows * self.n_cols) as f64;
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if total > 0.0 {
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self.values.len() as f64 / total
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} else {
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0.0
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}
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}
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}
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/// FEM assembler configuration
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#[derive(Debug, Clone, Serialize, Deserialize)]
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pub struct AssemblerConfig {
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/// Use parallel assembly
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pub parallel: bool,
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/// Chunk size for parallel assembly
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pub chunk_size: usize,
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/// Apply reference electrode (average reference)
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pub apply_reference: bool,
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/// Reference electrode node index (if not average)
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pub reference_node: Option<usize>,
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}
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impl Default for AssemblerConfig {
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fn default() -> Self {
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Self {
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parallel: true,
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chunk_size: 1000,
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apply_reference: true,
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reference_node: None,
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}
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}
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}
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/// FEM matrix assembler
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#[derive(Debug)]
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pub struct FemAssembler {
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/// Configuration
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config: AssemblerConfig,
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/// Mesh reference
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mesh: HeadMesh,
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/// Conductivity model
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conductivity: TissueConductivity,
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/// Element stiffness matrices
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element_stiffness: Vec<ElementStiffness>,
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/// Global stiffness matrix
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global_stiffness: Option<CsMatI<f64, usize>>,
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}
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impl FemAssembler {
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/// Create a new assembler
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pub fn new(mesh: HeadMesh, conductivity: TissueConductivity, config: AssemblerConfig) -> Self {
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Self {
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config,
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mesh,
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conductivity,
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element_stiffness: Vec::new(),
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global_stiffness: None,
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}
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}
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/// Create with default configuration
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pub fn with_defaults(mesh: HeadMesh, conductivity: TissueConductivity) -> Self {
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Self::new(mesh, conductivity, AssemblerConfig::default())
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}
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/// Get mesh reference
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pub fn mesh(&self) -> &HeadMesh {
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&self.mesh
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}
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/// Get conductivity model
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pub fn conductivity(&self) -> &TissueConductivity {
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&self.conductivity
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}
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/// Compute element stiffness matrices
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pub fn compute_element_stiffness(&mut self) -> FemResult<()> {
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// Ensure element conductivity tensors are computed
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let mut conductivity = self.conductivity.clone();
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if conductivity.element_tensors().is_none() {
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conductivity.compute_element_tensors(&self.mesh)?;
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}
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let elements = &self.mesh.elements;
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let _nodes = &self.mesh.nodes;
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if self.config.parallel {
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// Parallel computation
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let element_stiffness: Vec<ElementStiffness> = elements
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.par_iter()
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.enumerate()
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.map(|(idx, elem)| {
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let tensor = conductivity
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.element_tensor(idx)
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.cloned()
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.unwrap_or_else(|| ConductivityTensor::isotropic(0.33));
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ElementStiffness::compute(elem, &self.mesh, &tensor)
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})
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.collect();
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self.element_stiffness = element_stiffness;
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} else {
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// Sequential computation
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self.element_stiffness.clear();
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self.element_stiffness.reserve(elements.len());
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for (idx, elem) in elements.iter().enumerate() {
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let tensor = conductivity
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.element_tensor(idx)
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.cloned()
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.unwrap_or_else(|| ConductivityTensor::isotropic(0.33));
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self.element_stiffness
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.push(ElementStiffness::compute(elem, &self.mesh, &tensor));
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}
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}
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self.conductivity = conductivity;
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Ok(())
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}
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/// Assemble global stiffness matrix
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pub fn assemble_global(&mut self) -> FemResult<()> {
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if self.element_stiffness.is_empty() {
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self.compute_element_stiffness()?;
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}
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let n_nodes = self.mesh.n_nodes();
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// Use triplet format for assembly
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let mut triplets = TriMat::new((n_nodes, n_nodes));
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// Estimate capacity (4*4 entries per element)
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let estimated_nnz = self.element_stiffness.len() * 16;
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triplets.reserve(estimated_nnz);
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// Assemble element contributions
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for elem_k in &self.element_stiffness {
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for i in 0..4 {
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let global_i = elem_k.node_indices[i];
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for j in 0..4 {
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let global_j = elem_k.node_indices[j];
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let value = elem_k.matrix[(i, j)];
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if value.abs() > 1e-15 {
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triplets.add_triplet(global_i, global_j, value);
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}
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}
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}
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}
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// Convert to CSR
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let mut csr: CsMatI<f64, usize> = triplets.to_csr();
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// Apply reference electrode constraint
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if self.config.apply_reference {
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csr = self.apply_reference_constraint(csr)?;
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}
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self.global_stiffness = Some(csr);
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Ok(())
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}
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/// Apply reference electrode constraint to make system solvable
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fn apply_reference_constraint(
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&self,
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mut stiffness: CsMatI<f64, usize>,
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) -> FemResult<CsMatI<f64, usize>> {
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let n = stiffness.rows();
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if let Some(ref_node) = self.config.reference_node {
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// Fix potential at reference node
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// Set row and column to zero, diagonal to 1
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if ref_node >= n {
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return Err(FemError::AssemblyError(
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"Reference node index out of bounds".into(),
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));
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}
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// Convert to dense for modification (inefficient but safe)
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let mut dense = self.sparse_to_dense(&stiffness);
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// Zero out row and column
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for j in 0..n {
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dense[[ref_node, j]] = 0.0;
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dense[[j, ref_node]] = 0.0;
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}
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dense[[ref_node, ref_node]] = 1.0;
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// Convert back to sparse
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stiffness = self.dense_to_sparse(&dense);
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} else {
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// Average reference: deflate matrix
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// K_deflated = K - K*v*v^T - v*v^T*K + v^T*K*v * v*v^T
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// where v = [1/√n, 1/√n, ..., 1/√n]^T
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// This is expensive, so we just add a small regularization
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// to the diagonal and use iterative solver with null space handling
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// Simple approach: add regularization
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let reg = 1e-10;
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let mut dense = self.sparse_to_dense(&stiffness);
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for i in 0..n {
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dense[[i, i]] += reg;
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}
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stiffness = self.dense_to_sparse(&dense);
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}
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Ok(stiffness)
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}
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/// Convert sparse to dense matrix
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fn sparse_to_dense(&self, sparse: &CsMatI<f64, usize>) -> Array2<f64> {
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let (rows, cols) = (sparse.rows(), sparse.cols());
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let mut dense = Array2::zeros((rows, cols));
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for (&val, (row, col)) in sparse {
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dense[[row, col]] = val;
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}
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dense
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}
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/// Convert dense to sparse matrix
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fn dense_to_sparse(&self, dense: &Array2<f64>) -> CsMatI<f64, usize> {
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let (rows, cols) = dense.dim();
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let mut triplets = TriMat::new((rows, cols));
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for i in 0..rows {
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for j in 0..cols {
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let val = dense[[i, j]];
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if val.abs() > 1e-15 {
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triplets.add_triplet(i, j, val);
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}
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}
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}
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triplets.to_csr()
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}
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/// Get global stiffness matrix
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pub fn stiffness_matrix(&self) -> Option<&CsMatI<f64, usize>> {
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self.global_stiffness.as_ref()
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}
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/// Get stiffness matrix in serializable format
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pub fn stiffness_matrix_dto(&self) -> Option<StiffnessMatrix> {
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self.global_stiffness
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.as_ref()
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.map(StiffnessMatrix::from_csr)
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}
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/// Get number of nodes
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pub fn n_nodes(&self) -> usize {
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self.mesh.n_nodes()
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}
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/// Get number of elements
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pub fn n_elements(&self) -> usize {
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self.mesh.n_elements()
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}
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/// Get assembly statistics
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pub fn stats(&self) -> AssemblyStats {
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let n_nodes = self.mesh.n_nodes();
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let n_elements = self.mesh.n_elements();
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let (nnz, sparsity) = if let Some(ref k) = self.global_stiffness {
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(k.nnz(), k.nnz() as f64 / (n_nodes * n_nodes) as f64)
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} else {
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(0, 0.0)
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};
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AssemblyStats {
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n_nodes,
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n_elements,
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n_element_stiffness: self.element_stiffness.len(),
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nnz,
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sparsity,
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parallel: self.config.parallel,
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}
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}
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}
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/// Assembly statistics
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#[derive(Debug, Clone, Serialize, Deserialize)]
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pub struct AssemblyStats {
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/// Number of mesh nodes
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pub n_nodes: usize,
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/// Number of elements
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pub n_elements: usize,
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/// Number of computed element stiffness matrices
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pub n_element_stiffness: usize,
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/// Number of non-zeros in global matrix
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pub nnz: usize,
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/// Sparsity ratio
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pub sparsity: f64,
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/// Whether parallel assembly was used
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pub parallel: bool,
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}
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/// Compute transfer matrix for sensors
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///
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/// Given electrode positions, compute the interpolation matrix that
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/// maps nodal potentials to electrode potentials.
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#[derive(Debug, Clone)]
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pub struct TransferMatrix {
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/// Electrode positions
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pub electrode_positions: Vec<Vector3<f64>>,
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/// Transfer matrix (n_electrodes x n_nodes)
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pub matrix: Array2<f64>,
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/// Element indices containing each electrode
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pub electrode_elements: Vec<Option<usize>>,
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}
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impl TransferMatrix {
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/// Compute transfer matrix for electrode positions
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pub fn compute(mesh: &HeadMesh, electrodes: &[Vector3<f64>]) -> FemResult<Self> {
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let n_electrodes = electrodes.len();
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let n_nodes = mesh.n_nodes();
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let mut matrix = Array2::zeros((n_electrodes, n_nodes));
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let mut electrode_elements = Vec::with_capacity(n_electrodes);
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for (i, pos) in electrodes.iter().enumerate() {
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// Find element containing electrode
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if let Some(elem_idx) = mesh.find_element(pos) {
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let elem = &mesh.elements[elem_idx];
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let bary = compute_barycentric(mesh, elem, pos);
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// Interpolate using shape functions
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for (j, &node_idx) in elem.nodes.iter().enumerate() {
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matrix[[i, node_idx]] = bary[j];
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}
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electrode_elements.push(Some(elem_idx));
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} else {
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// Electrode outside mesh - find nearest node
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let mut min_dist = f64::MAX;
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let mut nearest_node = 0;
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for (j, node) in mesh.nodes.iter().enumerate() {
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let dist = (node.position - pos).norm();
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if dist < min_dist {
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min_dist = dist;
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nearest_node = j;
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}
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}
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matrix[[i, nearest_node]] = 1.0;
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electrode_elements.push(None);
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}
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}
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Ok(Self {
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electrode_positions: electrodes.to_vec(),
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matrix,
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electrode_elements,
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})
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}
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/// Apply transfer matrix to nodal potentials
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pub fn apply(&self, nodal_potentials: &ndarray::Array1<f64>) -> ndarray::Array1<f64> {
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self.matrix.dot(nodal_potentials)
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}
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/// Number of electrodes
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pub fn n_electrodes(&self) -> usize {
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self.electrode_positions.len()
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}
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}
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/// Compute barycentric coordinates in a tetrahedron
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fn compute_barycentric(mesh: &HeadMesh, elem: &TetElement, point: &Vector3<f64>) -> [f64; 4] {
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let p0 = &mesh.nodes[elem.nodes[0]].position;
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let p1 = &mesh.nodes[elem.nodes[1]].position;
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let p2 = &mesh.nodes[elem.nodes[2]].position;
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let p3 = &mesh.nodes[elem.nodes[3]].position;
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// Compute volumes of sub-tetrahedra
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let v_total = tetrahedron_volume(p0, p1, p2, p3);
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if v_total.abs() < 1e-15 {
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return [0.25, 0.25, 0.25, 0.25];
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}
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let l0 = tetrahedron_volume(point, p1, p2, p3) / v_total;
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let l1 = tetrahedron_volume(p0, point, p2, p3) / v_total;
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let l2 = tetrahedron_volume(p0, p1, point, p3) / v_total;
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let l3 = 1.0 - l0 - l1 - l2;
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[l0, l1, l2, l3]
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}
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/// Compute signed volume of tetrahedron
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fn tetrahedron_volume(
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p0: &Vector3<f64>,
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p1: &Vector3<f64>,
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p2: &Vector3<f64>,
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p3: &Vector3<f64>,
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) -> f64 {
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let v1 = p1 - p0;
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let v2 = p2 - p0;
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let v3 = p3 - p0;
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||||
v1.dot(&v2.cross(&v3)) / 6.0
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
use crate::mesh::TissueLayer;
|
||||
|
||||
#[test]
|
||||
fn test_element_stiffness() {
|
||||
// Create simple mesh with one element
|
||||
let mut mesh = HeadMesh::new();
|
||||
mesh.nodes = vec![
|
||||
crate::mesh::MeshNode::new(0, 0.0, 0.0, 0.0),
|
||||
crate::mesh::MeshNode::new(1, 1.0, 0.0, 0.0),
|
||||
crate::mesh::MeshNode::new(2, 0.0, 1.0, 0.0),
|
||||
crate::mesh::MeshNode::new(3, 0.0, 0.0, 1.0),
|
||||
];
|
||||
|
||||
let mut elem = crate::mesh::TetElement::new(0, [0, 1, 2, 3], TissueLayer::GrayMatter);
|
||||
elem.compute_volume(&mesh.nodes);
|
||||
mesh.elements.push(elem);
|
||||
|
||||
let sigma = ConductivityTensor::isotropic(0.33);
|
||||
let ke = ElementStiffness::compute(&mesh.elements[0], &mesh, &sigma);
|
||||
|
||||
// Stiffness matrix should be symmetric
|
||||
for i in 0..4 {
|
||||
for j in 0..4 {
|
||||
assert!((ke.matrix[(i, j)] - ke.matrix[(j, i)]).abs() < 1e-10);
|
||||
}
|
||||
}
|
||||
|
||||
// Row sums should be zero (conservation)
|
||||
for i in 0..4 {
|
||||
let row_sum: f64 = (0..4).map(|j| ke.matrix[(i, j)]).sum();
|
||||
assert!(row_sum.abs() < 1e-10, "Row {} sum = {}", i, row_sum);
|
||||
}
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_assembler_creation() {
|
||||
let mesh = HeadMesh::three_layer_sphere(0.08, 0.007, 0.006, 2, 1).unwrap();
|
||||
let conductivity = TissueConductivity::default_isotropic();
|
||||
|
||||
let assembler = FemAssembler::with_defaults(mesh, conductivity);
|
||||
assert!(assembler.n_nodes() > 0);
|
||||
assert!(assembler.n_elements() > 0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_global_assembly() {
|
||||
let mesh = HeadMesh::three_layer_sphere(0.08, 0.007, 0.006, 2, 1).unwrap();
|
||||
let conductivity = TissueConductivity::default_isotropic();
|
||||
|
||||
let mut assembler = FemAssembler::with_defaults(mesh, conductivity);
|
||||
assembler.assemble_global().unwrap();
|
||||
|
||||
let k = assembler.stiffness_matrix().unwrap();
|
||||
assert!(k.rows() == assembler.n_nodes());
|
||||
assert!(k.cols() == assembler.n_nodes());
|
||||
assert!(k.nnz() > 0);
|
||||
|
||||
// Check sparsity
|
||||
let stats = assembler.stats();
|
||||
assert!(stats.sparsity < 0.1); // Should be very sparse
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_stiffness_symmetry() {
|
||||
let mesh = HeadMesh::three_layer_sphere(0.08, 0.007, 0.006, 2, 1).unwrap();
|
||||
let conductivity = TissueConductivity::default_isotropic();
|
||||
|
||||
let mut assembler = FemAssembler::with_defaults(mesh, conductivity);
|
||||
assembler.assemble_global().unwrap();
|
||||
|
||||
let k = assembler.stiffness_matrix().unwrap();
|
||||
|
||||
// Check symmetry for a few elements
|
||||
for (&val, (i, j)) in k.iter().take(100) {
|
||||
// Find K[j,i]
|
||||
let mut found = false;
|
||||
for (&v, (ii, jj)) in k.iter() {
|
||||
if ii == j && jj == i {
|
||||
assert!(
|
||||
(val - v).abs() < 1e-10,
|
||||
"K[{},{}] = {} != K[{},{}] = {}",
|
||||
i,
|
||||
j,
|
||||
val,
|
||||
j,
|
||||
i,
|
||||
v
|
||||
);
|
||||
found = true;
|
||||
break;
|
||||
}
|
||||
}
|
||||
if !found && val.abs() > 1e-15 {
|
||||
panic!("No symmetric entry found for K[{},{}]", i, j);
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_transfer_matrix() {
|
||||
let mesh = HeadMesh::three_layer_sphere(0.08, 0.007, 0.006, 2, 1).unwrap();
|
||||
|
||||
// Electrodes on scalp surface
|
||||
let electrodes = vec![
|
||||
Vector3::new(0.0, 0.0, 0.093),
|
||||
Vector3::new(0.093, 0.0, 0.0),
|
||||
Vector3::new(0.0, 0.093, 0.0),
|
||||
];
|
||||
|
||||
let transfer = TransferMatrix::compute(&mesh, &electrodes).unwrap();
|
||||
|
||||
assert_eq!(transfer.n_electrodes(), 3);
|
||||
assert_eq!(transfer.matrix.nrows(), 3);
|
||||
assert_eq!(transfer.matrix.ncols(), mesh.n_nodes());
|
||||
|
||||
// Each row should sum to 1 (interpolation weights)
|
||||
for i in 0..3 {
|
||||
let row_sum: f64 = transfer.matrix.row(i).sum();
|
||||
assert!((row_sum - 1.0).abs() < 1e-10, "Row {} sum = {}", i, row_sum);
|
||||
}
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_barycentric_coordinates() {
|
||||
let mesh = HeadMesh::three_layer_sphere(0.08, 0.007, 0.006, 2, 1).unwrap();
|
||||
|
||||
// Find an element and test barycentric at centroid
|
||||
if let Some(elem) = mesh.elements.first() {
|
||||
let centroid = elem.centroid(&mesh.nodes);
|
||||
let bary = compute_barycentric(&mesh, elem, ¢roid);
|
||||
|
||||
// At centroid, barycentric coords should be approximately equal
|
||||
let avg = 0.25;
|
||||
for (i, &b) in bary.iter().enumerate() {
|
||||
assert!(
|
||||
(b - avg).abs() < 0.1,
|
||||
"Barycentric {} = {} (expected ~{})",
|
||||
i,
|
||||
b,
|
||||
avg
|
||||
);
|
||||
}
|
||||
|
||||
// Should sum to 1
|
||||
let sum: f64 = bary.iter().sum();
|
||||
assert!((sum - 1.0).abs() < 1e-10);
|
||||
}
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_assembly_stats() {
|
||||
let mesh = HeadMesh::three_layer_sphere(0.08, 0.007, 0.006, 2, 1).unwrap();
|
||||
let conductivity = TissueConductivity::default_isotropic();
|
||||
|
||||
let mut assembler = FemAssembler::with_defaults(mesh, conductivity);
|
||||
assembler.assemble_global().unwrap();
|
||||
|
||||
let stats = assembler.stats();
|
||||
assert!(stats.n_nodes > 0);
|
||||
assert!(stats.n_elements > 0);
|
||||
assert!(stats.nnz > 0);
|
||||
assert!(stats.sparsity > 0.0);
|
||||
assert!(stats.sparsity < 1.0);
|
||||
}
|
||||
}
|
||||
@@ -0,0 +1,513 @@
|
||||
//! Tissue conductivity models for FEM head modeling.
|
||||
//!
|
||||
//! Provides isotropic and anisotropic conductivity tensors
|
||||
//! for different tissue types in the head.
|
||||
|
||||
use crate::error::{FemError, FemResult};
|
||||
use crate::mesh::TissueLayer;
|
||||
use nalgebra::{Matrix3, Vector3};
|
||||
use serde::{Deserialize, Serialize};
|
||||
use std::collections::HashMap;
|
||||
|
||||
/// Conductivity tensor (3x3 symmetric matrix)
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct ConductivityTensor {
|
||||
/// Tensor components (symmetric)
|
||||
pub tensor: Matrix3<f64>,
|
||||
/// Whether this is isotropic
|
||||
pub is_isotropic: bool,
|
||||
}
|
||||
|
||||
impl ConductivityTensor {
|
||||
/// Create an isotropic conductivity tensor
|
||||
pub fn isotropic(sigma: f64) -> Self {
|
||||
Self {
|
||||
tensor: Matrix3::identity() * sigma,
|
||||
is_isotropic: true,
|
||||
}
|
||||
}
|
||||
|
||||
/// Create an anisotropic conductivity tensor
|
||||
pub fn anisotropic(tensor: Matrix3<f64>) -> Self {
|
||||
Self {
|
||||
tensor,
|
||||
is_isotropic: false,
|
||||
}
|
||||
}
|
||||
|
||||
/// Create from principal conductivities and eigenvectors
|
||||
pub fn from_principal(sigmas: &[f64; 3], eigenvectors: &Matrix3<f64>) -> Self {
|
||||
// σ = V * diag(σ1, σ2, σ3) * V^T
|
||||
let d = Matrix3::from_diagonal(&Vector3::new(sigmas[0], sigmas[1], sigmas[2]));
|
||||
let tensor = eigenvectors * d * eigenvectors.transpose();
|
||||
|
||||
Self {
|
||||
tensor,
|
||||
is_isotropic: (sigmas[0] - sigmas[1]).abs() < 1e-10
|
||||
&& (sigmas[1] - sigmas[2]).abs() < 1e-10,
|
||||
}
|
||||
}
|
||||
|
||||
/// Get scalar conductivity (trace/3 for anisotropic)
|
||||
pub fn scalar(&self) -> f64 {
|
||||
(self.tensor[(0, 0)] + self.tensor[(1, 1)] + self.tensor[(2, 2)]) / 3.0
|
||||
}
|
||||
|
||||
/// Get conductivity in a specific direction
|
||||
pub fn in_direction(&self, direction: &Vector3<f64>) -> f64 {
|
||||
let d = direction.normalize();
|
||||
d.dot(&(self.tensor * d))
|
||||
}
|
||||
|
||||
/// Apply conductivity to electric field gradient
|
||||
pub fn apply(&self, gradient: &Vector3<f64>) -> Vector3<f64> {
|
||||
self.tensor * gradient
|
||||
}
|
||||
}
|
||||
|
||||
impl Default for ConductivityTensor {
|
||||
fn default() -> Self {
|
||||
Self::isotropic(1.0)
|
||||
}
|
||||
}
|
||||
|
||||
/// Anisotropy model type
|
||||
#[derive(Debug, Clone, Copy, PartialEq, Eq, Serialize, Deserialize)]
|
||||
pub enum AnisotropicModel {
|
||||
/// Isotropic (no anisotropy)
|
||||
Isotropic,
|
||||
/// Volume-based constraint
|
||||
VolumeConstraint,
|
||||
/// DTI-based from diffusion tensor
|
||||
DtiBased,
|
||||
/// Fixed ratio anisotropy
|
||||
FixedRatio,
|
||||
}
|
||||
|
||||
/// Configuration for tissue conductivity
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct TissueConfig {
|
||||
/// Tissue type
|
||||
pub tissue: TissueLayer,
|
||||
/// Isotropic conductivity (S/m)
|
||||
pub conductivity: f64,
|
||||
/// Anisotropy model
|
||||
pub anisotropy: AnisotropicModel,
|
||||
/// Anisotropy ratio (longitudinal/transverse) for non-DTI models
|
||||
pub anisotropy_ratio: f64,
|
||||
}
|
||||
|
||||
impl TissueConfig {
|
||||
/// Create with isotropic conductivity
|
||||
pub fn isotropic(tissue: TissueLayer, conductivity: f64) -> Self {
|
||||
Self {
|
||||
tissue,
|
||||
conductivity,
|
||||
anisotropy: AnisotropicModel::Isotropic,
|
||||
anisotropy_ratio: 1.0,
|
||||
}
|
||||
}
|
||||
|
||||
/// Create with anisotropic conductivity
|
||||
pub fn anisotropic(
|
||||
tissue: TissueLayer,
|
||||
conductivity: f64,
|
||||
model: AnisotropicModel,
|
||||
ratio: f64,
|
||||
) -> Self {
|
||||
Self {
|
||||
tissue,
|
||||
conductivity,
|
||||
anisotropy: model,
|
||||
anisotropy_ratio: ratio,
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
/// Default conductivities for different tissue types (S/m)
|
||||
pub fn default_conductivity(tissue: TissueLayer) -> f64 {
|
||||
match tissue {
|
||||
TissueLayer::Scalp => 0.43,
|
||||
TissueLayer::Skull => 0.0042,
|
||||
TissueLayer::Csf => 1.79,
|
||||
TissueLayer::GrayMatter => 0.33,
|
||||
TissueLayer::WhiteMatter => 0.14,
|
||||
TissueLayer::Air => 1e-12,
|
||||
}
|
||||
}
|
||||
|
||||
/// Default anisotropy ratio for tissues
|
||||
pub fn default_anisotropy_ratio(tissue: TissueLayer) -> f64 {
|
||||
match tissue {
|
||||
TissueLayer::Skull => 10.0, // Radial/tangential
|
||||
TissueLayer::WhiteMatter => 9.0, // Along/perpendicular to fibers
|
||||
_ => 1.0, // Isotropic
|
||||
}
|
||||
}
|
||||
|
||||
/// Tissue conductivity model for FEM
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct TissueConductivity {
|
||||
/// Per-tissue configurations
|
||||
configs: HashMap<TissueLayer, TissueConfig>,
|
||||
/// Per-element conductivity tensors (if computed)
|
||||
element_tensors: Option<Vec<ConductivityTensor>>,
|
||||
}
|
||||
|
||||
impl TissueConductivity {
|
||||
/// Create with default isotropic conductivities
|
||||
pub fn default_isotropic() -> Self {
|
||||
let mut configs = HashMap::new();
|
||||
|
||||
for tissue in [
|
||||
TissueLayer::Scalp,
|
||||
TissueLayer::Skull,
|
||||
TissueLayer::Csf,
|
||||
TissueLayer::GrayMatter,
|
||||
TissueLayer::WhiteMatter,
|
||||
] {
|
||||
configs.insert(
|
||||
tissue,
|
||||
TissueConfig::isotropic(tissue, default_conductivity(tissue)),
|
||||
);
|
||||
}
|
||||
|
||||
Self {
|
||||
configs,
|
||||
element_tensors: None,
|
||||
}
|
||||
}
|
||||
|
||||
/// Create with default anisotropic conductivities
|
||||
pub fn default_anisotropic() -> Self {
|
||||
let mut configs = HashMap::new();
|
||||
|
||||
// Isotropic tissues
|
||||
for tissue in [
|
||||
TissueLayer::Scalp,
|
||||
TissueLayer::Csf,
|
||||
TissueLayer::GrayMatter,
|
||||
] {
|
||||
configs.insert(
|
||||
tissue,
|
||||
TissueConfig::isotropic(tissue, default_conductivity(tissue)),
|
||||
);
|
||||
}
|
||||
|
||||
// Anisotropic skull
|
||||
configs.insert(
|
||||
TissueLayer::Skull,
|
||||
TissueConfig::anisotropic(
|
||||
TissueLayer::Skull,
|
||||
default_conductivity(TissueLayer::Skull),
|
||||
AnisotropicModel::FixedRatio,
|
||||
default_anisotropy_ratio(TissueLayer::Skull),
|
||||
),
|
||||
);
|
||||
|
||||
// Anisotropic white matter
|
||||
configs.insert(
|
||||
TissueLayer::WhiteMatter,
|
||||
TissueConfig::anisotropic(
|
||||
TissueLayer::WhiteMatter,
|
||||
default_conductivity(TissueLayer::WhiteMatter),
|
||||
AnisotropicModel::VolumeConstraint,
|
||||
default_anisotropy_ratio(TissueLayer::WhiteMatter),
|
||||
),
|
||||
);
|
||||
|
||||
Self {
|
||||
configs,
|
||||
element_tensors: None,
|
||||
}
|
||||
}
|
||||
|
||||
/// Set conductivity for a tissue
|
||||
pub fn set_conductivity(&mut self, tissue: TissueLayer, sigma: f64) {
|
||||
if let Some(config) = self.configs.get_mut(&tissue) {
|
||||
config.conductivity = sigma;
|
||||
} else {
|
||||
self.configs
|
||||
.insert(tissue, TissueConfig::isotropic(tissue, sigma));
|
||||
}
|
||||
self.element_tensors = None; // Invalidate cached tensors
|
||||
}
|
||||
|
||||
/// Set anisotropy model for a tissue
|
||||
pub fn set_anisotropy(&mut self, tissue: TissueLayer, model: AnisotropicModel, ratio: f64) {
|
||||
if let Some(config) = self.configs.get_mut(&tissue) {
|
||||
config.anisotropy = model;
|
||||
config.anisotropy_ratio = ratio;
|
||||
}
|
||||
self.element_tensors = None;
|
||||
}
|
||||
|
||||
/// Get configuration for a tissue
|
||||
pub fn get_config(&self, tissue: TissueLayer) -> Option<&TissueConfig> {
|
||||
self.configs.get(&tissue)
|
||||
}
|
||||
|
||||
/// Get conductivity tensor for a tissue at a position
|
||||
pub fn tensor_at(
|
||||
&self,
|
||||
tissue: TissueLayer,
|
||||
position: &Vector3<f64>,
|
||||
normal: Option<&Vector3<f64>>,
|
||||
) -> ConductivityTensor {
|
||||
let config = match self.configs.get(&tissue) {
|
||||
Some(c) => c,
|
||||
None => return ConductivityTensor::isotropic(default_conductivity(tissue)),
|
||||
};
|
||||
|
||||
match config.anisotropy {
|
||||
AnisotropicModel::Isotropic => ConductivityTensor::isotropic(config.conductivity),
|
||||
AnisotropicModel::VolumeConstraint => {
|
||||
// Volume-preserving anisotropy
|
||||
self.volume_constraint_tensor(config, position, normal)
|
||||
}
|
||||
AnisotropicModel::FixedRatio => {
|
||||
// Fixed ratio along normal direction
|
||||
self.fixed_ratio_tensor(config, normal)
|
||||
}
|
||||
AnisotropicModel::DtiBased => {
|
||||
// Would need DTI data - fall back to isotropic
|
||||
ConductivityTensor::isotropic(config.conductivity)
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
/// Compute tensor with volume constraint
|
||||
fn volume_constraint_tensor(
|
||||
&self,
|
||||
config: &TissueConfig,
|
||||
position: &Vector3<f64>,
|
||||
_normal: Option<&Vector3<f64>>,
|
||||
) -> ConductivityTensor {
|
||||
let sigma = config.conductivity;
|
||||
let ratio = config.anisotropy_ratio;
|
||||
|
||||
// Get principal direction (radial from center for spherical)
|
||||
let r = position.norm();
|
||||
let radial = if r > 1e-10 {
|
||||
position / r
|
||||
} else {
|
||||
Vector3::new(0.0, 0.0, 1.0)
|
||||
};
|
||||
|
||||
// Volume constraint: σ_l * σ_t^2 = σ_iso^3
|
||||
// With ratio = σ_l / σ_t
|
||||
let sigma_t = (sigma.powi(3) / ratio).powf(1.0 / 3.0);
|
||||
let sigma_l = sigma_t * ratio;
|
||||
|
||||
// Build tensor: σ = σ_t * I + (σ_l - σ_t) * r ⊗ r
|
||||
let tensor =
|
||||
Matrix3::identity() * sigma_t + (sigma_l - sigma_t) * radial * radial.transpose();
|
||||
|
||||
ConductivityTensor::anisotropic(tensor)
|
||||
}
|
||||
|
||||
/// Compute tensor with fixed ratio along normal
|
||||
fn fixed_ratio_tensor(
|
||||
&self,
|
||||
config: &TissueConfig,
|
||||
normal: Option<&Vector3<f64>>,
|
||||
) -> ConductivityTensor {
|
||||
let sigma = config.conductivity;
|
||||
let ratio = config.anisotropy_ratio;
|
||||
|
||||
let default_normal = Vector3::new(0.0, 0.0, 1.0);
|
||||
let n = normal.unwrap_or(&default_normal);
|
||||
let n = n.normalize();
|
||||
|
||||
// σ_radial = sigma * ratio, σ_tangential = sigma / sqrt(ratio)
|
||||
let sigma_n = sigma * ratio.sqrt();
|
||||
let sigma_t = sigma / ratio.sqrt();
|
||||
|
||||
let tensor = Matrix3::identity() * sigma_t + (sigma_n - sigma_t) * n * n.transpose();
|
||||
|
||||
ConductivityTensor::anisotropic(tensor)
|
||||
}
|
||||
|
||||
/// Compute conductivity tensors for all elements
|
||||
pub fn compute_element_tensors(&mut self, mesh: &crate::mesh::HeadMesh) -> FemResult<()> {
|
||||
let n_elements = mesh.n_elements();
|
||||
let mut tensors = Vec::with_capacity(n_elements);
|
||||
|
||||
for elem in &mesh.elements {
|
||||
let centroid = elem.centroid(&mesh.nodes);
|
||||
let normal = Some(centroid.normalize()); // Radial for spherical
|
||||
|
||||
let tensor = self.tensor_at(elem.tissue, ¢roid, normal.as_ref());
|
||||
tensors.push(tensor);
|
||||
}
|
||||
|
||||
self.element_tensors = Some(tensors);
|
||||
Ok(())
|
||||
}
|
||||
|
||||
/// Get pre-computed element tensor
|
||||
pub fn element_tensor(&self, element_idx: usize) -> Option<&ConductivityTensor> {
|
||||
self.element_tensors.as_ref()?.get(element_idx)
|
||||
}
|
||||
|
||||
/// Get all element tensors
|
||||
pub fn element_tensors(&self) -> Option<&[ConductivityTensor]> {
|
||||
self.element_tensors.as_deref()
|
||||
}
|
||||
}
|
||||
|
||||
impl Default for TissueConductivity {
|
||||
fn default() -> Self {
|
||||
Self::default_isotropic()
|
||||
}
|
||||
}
|
||||
|
||||
/// DTI-based conductivity model
|
||||
#[derive(Debug, Clone)]
|
||||
pub struct DtiConductivity {
|
||||
/// Diffusion tensors per voxel
|
||||
pub diffusion_tensors: Vec<Matrix3<f64>>,
|
||||
/// Voxel positions
|
||||
pub positions: Vec<Vector3<f64>>,
|
||||
/// Conversion factor from diffusion to conductivity
|
||||
pub d2c_factor: f64,
|
||||
/// Minimum eigenvalue ratio
|
||||
pub min_ratio: f64,
|
||||
}
|
||||
|
||||
impl DtiConductivity {
|
||||
/// Create from diffusion tensor data
|
||||
pub fn new(
|
||||
diffusion_tensors: Vec<Matrix3<f64>>,
|
||||
positions: Vec<Vector3<f64>>,
|
||||
) -> FemResult<Self> {
|
||||
if diffusion_tensors.len() != positions.len() {
|
||||
return Err(FemError::DimensionMismatch(
|
||||
"Tensors and positions must have same length".into(),
|
||||
));
|
||||
}
|
||||
|
||||
Ok(Self {
|
||||
diffusion_tensors,
|
||||
positions,
|
||||
d2c_factor: 0.736, // Tuch 2001: σ = 0.736 * D
|
||||
min_ratio: 0.1,
|
||||
})
|
||||
}
|
||||
|
||||
/// Get conductivity tensor at a position (nearest neighbor interpolation)
|
||||
pub fn tensor_at(&self, position: &Vector3<f64>) -> ConductivityTensor {
|
||||
if self.positions.is_empty() {
|
||||
return ConductivityTensor::isotropic(default_conductivity(TissueLayer::WhiteMatter));
|
||||
}
|
||||
|
||||
// Find nearest DTI voxel
|
||||
let mut min_dist = f64::MAX;
|
||||
let mut nearest_idx = 0;
|
||||
|
||||
for (i, pos) in self.positions.iter().enumerate() {
|
||||
let dist = (pos - position).norm_squared();
|
||||
if dist < min_dist {
|
||||
min_dist = dist;
|
||||
nearest_idx = i;
|
||||
}
|
||||
}
|
||||
|
||||
// Convert diffusion to conductivity
|
||||
let d = &self.diffusion_tensors[nearest_idx];
|
||||
let sigma = d * self.d2c_factor;
|
||||
|
||||
// Ensure positive definiteness
|
||||
let eigendecomp = sigma.symmetric_eigen();
|
||||
let mut eigenvalues = eigendecomp.eigenvalues;
|
||||
|
||||
// Clamp eigenvalues
|
||||
let max_ev = eigenvalues.max();
|
||||
for ev in eigenvalues.iter_mut() {
|
||||
*ev = ev.max(max_ev * self.min_ratio);
|
||||
}
|
||||
|
||||
let d_clamped = Matrix3::from_diagonal(&eigenvalues);
|
||||
let tensor = eigendecomp.eigenvectors * d_clamped * eigendecomp.eigenvectors.transpose();
|
||||
|
||||
ConductivityTensor::anisotropic(tensor)
|
||||
}
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
|
||||
#[test]
|
||||
fn test_isotropic_tensor() {
|
||||
let tensor = ConductivityTensor::isotropic(0.33);
|
||||
assert!(tensor.is_isotropic);
|
||||
assert!((tensor.scalar() - 0.33).abs() < 1e-10);
|
||||
|
||||
// Same in all directions
|
||||
let dir1 = Vector3::new(1.0, 0.0, 0.0);
|
||||
let dir2 = Vector3::new(0.0, 1.0, 0.0);
|
||||
assert!((tensor.in_direction(&dir1) - tensor.in_direction(&dir2)).abs() < 1e-10);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_anisotropic_tensor() {
|
||||
let sigmas = [0.4, 0.2, 0.2];
|
||||
let eigenvectors = Matrix3::identity();
|
||||
let tensor = ConductivityTensor::from_principal(&sigmas, &eigenvectors);
|
||||
|
||||
assert!(!tensor.is_isotropic);
|
||||
|
||||
// Higher conductivity along x
|
||||
let dir_x = Vector3::new(1.0, 0.0, 0.0);
|
||||
let dir_y = Vector3::new(0.0, 1.0, 0.0);
|
||||
assert!(tensor.in_direction(&dir_x) > tensor.in_direction(&dir_y));
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_default_conductivities() {
|
||||
assert!((default_conductivity(TissueLayer::GrayMatter) - 0.33).abs() < 1e-10);
|
||||
assert!((default_conductivity(TissueLayer::Skull) - 0.0042).abs() < 1e-10);
|
||||
assert!((default_conductivity(TissueLayer::Csf) - 1.79).abs() < 1e-10);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_tissue_conductivity() {
|
||||
let conductivity = TissueConductivity::default_isotropic();
|
||||
|
||||
let config = conductivity.get_config(TissueLayer::GrayMatter).unwrap();
|
||||
assert!((config.conductivity - 0.33).abs() < 1e-10);
|
||||
assert_eq!(config.anisotropy, AnisotropicModel::Isotropic);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_anisotropic_conductivity() {
|
||||
let conductivity = TissueConductivity::default_anisotropic();
|
||||
|
||||
let wm_config = conductivity.get_config(TissueLayer::WhiteMatter).unwrap();
|
||||
assert_eq!(wm_config.anisotropy, AnisotropicModel::VolumeConstraint);
|
||||
|
||||
let skull_config = conductivity.get_config(TissueLayer::Skull).unwrap();
|
||||
assert_eq!(skull_config.anisotropy, AnisotropicModel::FixedRatio);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_tensor_at() {
|
||||
let conductivity = TissueConductivity::default_anisotropic();
|
||||
|
||||
let pos = Vector3::new(0.05, 0.0, 0.0);
|
||||
let tensor = conductivity.tensor_at(TissueLayer::WhiteMatter, &pos, None);
|
||||
|
||||
assert!(!tensor.is_isotropic);
|
||||
assert!(tensor.scalar() > 0.0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_set_conductivity() {
|
||||
let mut conductivity = TissueConductivity::default_isotropic();
|
||||
|
||||
conductivity.set_conductivity(TissueLayer::Skull, 0.01);
|
||||
let config = conductivity.get_config(TissueLayer::Skull).unwrap();
|
||||
assert!((config.conductivity - 0.01).abs() < 1e-10);
|
||||
}
|
||||
}
|
||||
@@ -0,0 +1,60 @@
|
||||
//! Error types for FEM head modeling.
|
||||
|
||||
use thiserror::Error;
|
||||
|
||||
/// FEM head modeling error types
|
||||
#[derive(Debug, Error)]
|
||||
pub enum FemError {
|
||||
/// Invalid mesh configuration
|
||||
#[error("Invalid mesh: {0}")]
|
||||
InvalidMesh(String),
|
||||
|
||||
/// Mesh generation failure
|
||||
#[error("Mesh generation failed: {0}")]
|
||||
MeshGenerationError(String),
|
||||
|
||||
/// Invalid conductivity configuration
|
||||
#[error("Invalid conductivity: {0}")]
|
||||
InvalidConductivity(String),
|
||||
|
||||
/// Matrix assembly error
|
||||
#[error("Assembly error: {0}")]
|
||||
AssemblyError(String),
|
||||
|
||||
/// Solver failure
|
||||
#[error("Solver error: {0}")]
|
||||
SolverError(String),
|
||||
|
||||
/// Solver did not converge
|
||||
#[error("Solver did not converge: {0}")]
|
||||
ConvergenceError(String),
|
||||
|
||||
/// Invalid geometry
|
||||
#[error("Invalid geometry: {0}")]
|
||||
GeometryError(String),
|
||||
|
||||
/// Lead field computation error
|
||||
#[error("Lead field error: {0}")]
|
||||
LeadFieldError(String),
|
||||
|
||||
/// Dimension mismatch
|
||||
#[error("Dimension mismatch: {0}")]
|
||||
DimensionMismatch(String),
|
||||
|
||||
/// I/O error
|
||||
#[error("I/O error: {0}")]
|
||||
IoError(#[from] std::io::Error),
|
||||
|
||||
/// FEA library error
|
||||
#[error("FEA error: {0}")]
|
||||
FeaError(String),
|
||||
}
|
||||
|
||||
/// Result type for FEM operations
|
||||
pub type FemResult<T> = Result<T, FemError>;
|
||||
|
||||
impl From<rtx_fea::FeaError> for FemError {
|
||||
fn from(e: rtx_fea::FeaError) -> Self {
|
||||
FemError::FeaError(e.to_string())
|
||||
}
|
||||
}
|
||||
@@ -0,0 +1,693 @@
|
||||
//! Lead field (gain matrix) computation for MEG/EEG forward modeling.
|
||||
//!
|
||||
//! The lead field matrix relates neural source currents to measured
|
||||
//! sensor signals: M = L * J, where L is the lead field.
|
||||
|
||||
use crate::assembly::{FemAssembler, TransferMatrix};
|
||||
use crate::error::{FemError, FemResult};
|
||||
use crate::mesh::HeadMesh;
|
||||
use crate::solver::{FemSolver, SolverConfig};
|
||||
use nalgebra::Vector3;
|
||||
use ndarray::{Array1, Array2, Axis};
|
||||
use rayon::prelude::*;
|
||||
use serde::{Deserialize, Serialize};
|
||||
use std::time::Instant;
|
||||
|
||||
/// Source type for lead field computation
|
||||
#[derive(Debug, Clone, Copy, PartialEq, Eq, Serialize, Deserialize)]
|
||||
pub enum SourceType {
|
||||
/// Current dipole
|
||||
Dipole,
|
||||
/// Monopole (point source)
|
||||
Monopole,
|
||||
}
|
||||
|
||||
/// Lead field configuration
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct LeadFieldConfig {
|
||||
/// Source type
|
||||
pub source_type: SourceType,
|
||||
/// Number of orientations per source (1 for fixed, 3 for free)
|
||||
pub n_orientations: usize,
|
||||
/// Whether to compute MEG lead field
|
||||
pub compute_meg: bool,
|
||||
/// Whether to compute EEG lead field
|
||||
pub compute_eeg: bool,
|
||||
/// Apply average reference to EEG
|
||||
pub eeg_average_reference: bool,
|
||||
/// Solver configuration
|
||||
pub solver_config: SolverConfig,
|
||||
/// Parallel computation
|
||||
pub parallel: bool,
|
||||
/// Verbose output
|
||||
pub verbose: bool,
|
||||
}
|
||||
|
||||
impl Default for LeadFieldConfig {
|
||||
fn default() -> Self {
|
||||
Self {
|
||||
source_type: SourceType::Dipole,
|
||||
n_orientations: 3,
|
||||
compute_meg: false,
|
||||
compute_eeg: true,
|
||||
eeg_average_reference: true,
|
||||
solver_config: SolverConfig::default(),
|
||||
parallel: true,
|
||||
verbose: false,
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
/// Source space definition
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct SourceSpace {
|
||||
/// Source positions (n_sources x 3)
|
||||
pub positions: Array2<f64>,
|
||||
/// Source normals/orientations (n_sources x 3, optional)
|
||||
pub normals: Option<Array2<f64>>,
|
||||
/// Element indices containing each source
|
||||
pub element_indices: Vec<Option<usize>>,
|
||||
}
|
||||
|
||||
impl SourceSpace {
|
||||
/// Create source space from positions
|
||||
pub fn from_positions(positions: Array2<f64>) -> Self {
|
||||
let n_sources = positions.nrows();
|
||||
Self {
|
||||
positions,
|
||||
normals: None,
|
||||
element_indices: vec![None; n_sources],
|
||||
}
|
||||
}
|
||||
|
||||
/// Create source space with normals
|
||||
pub fn with_normals(positions: Array2<f64>, normals: Array2<f64>) -> FemResult<Self> {
|
||||
if positions.nrows() != normals.nrows() {
|
||||
return Err(FemError::DimensionMismatch(
|
||||
"Positions and normals must have same number of rows".into(),
|
||||
));
|
||||
}
|
||||
|
||||
let n_sources = positions.nrows();
|
||||
Ok(Self {
|
||||
positions,
|
||||
normals: Some(normals),
|
||||
element_indices: vec![None; n_sources],
|
||||
})
|
||||
}
|
||||
|
||||
/// Create regular grid source space
|
||||
pub fn regular_grid(center: &Vector3<f64>, extent: &Vector3<f64>, spacing: f64) -> Self {
|
||||
let nx = (extent.x / spacing).ceil() as usize;
|
||||
let ny = (extent.y / spacing).ceil() as usize;
|
||||
let nz = (extent.z / spacing).ceil() as usize;
|
||||
|
||||
let n_sources = nx * ny * nz;
|
||||
let mut positions = Array2::zeros((n_sources, 3));
|
||||
|
||||
let mut idx = 0;
|
||||
for i in 0..nx {
|
||||
for j in 0..ny {
|
||||
for k in 0..nz {
|
||||
let x = center.x - extent.x / 2.0 + i as f64 * spacing;
|
||||
let y = center.y - extent.y / 2.0 + j as f64 * spacing;
|
||||
let z = center.z - extent.z / 2.0 + k as f64 * spacing;
|
||||
|
||||
positions[[idx, 0]] = x;
|
||||
positions[[idx, 1]] = y;
|
||||
positions[[idx, 2]] = z;
|
||||
idx += 1;
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
Self::from_positions(positions)
|
||||
}
|
||||
|
||||
/// Locate sources in mesh elements
|
||||
pub fn locate_in_mesh(&mut self, mesh: &HeadMesh) {
|
||||
for (i, row) in self.positions.axis_iter(Axis(0)).enumerate() {
|
||||
let pos = Vector3::new(row[0], row[1], row[2]);
|
||||
self.element_indices[i] = mesh.find_element(&pos);
|
||||
}
|
||||
}
|
||||
|
||||
/// Number of sources
|
||||
pub fn n_sources(&self) -> usize {
|
||||
self.positions.nrows()
|
||||
}
|
||||
|
||||
/// Get source position
|
||||
pub fn position(&self, idx: usize) -> Vector3<f64> {
|
||||
Vector3::new(
|
||||
self.positions[[idx, 0]],
|
||||
self.positions[[idx, 1]],
|
||||
self.positions[[idx, 2]],
|
||||
)
|
||||
}
|
||||
|
||||
/// Get source normal (or default)
|
||||
pub fn normal(&self, idx: usize) -> Vector3<f64> {
|
||||
if let Some(ref normals) = self.normals {
|
||||
Vector3::new(normals[[idx, 0]], normals[[idx, 1]], normals[[idx, 2]])
|
||||
} else {
|
||||
Vector3::new(0.0, 0.0, 1.0)
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
/// EEG/MEG sensor positions
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct SensorArray {
|
||||
/// Sensor positions (n_sensors x 3)
|
||||
pub positions: Array2<f64>,
|
||||
/// Sensor orientations for MEG (n_sensors x 3)
|
||||
pub orientations: Option<Array2<f64>>,
|
||||
/// Sensor labels
|
||||
pub labels: Vec<String>,
|
||||
/// Sensor type
|
||||
pub sensor_type: SensorType,
|
||||
}
|
||||
|
||||
/// Sensor type
|
||||
#[derive(Debug, Clone, Copy, PartialEq, Eq, Serialize, Deserialize)]
|
||||
pub enum SensorType {
|
||||
/// EEG electrodes
|
||||
EEG,
|
||||
/// MEG magnetometers
|
||||
Magnetometer,
|
||||
/// MEG gradiometers
|
||||
Gradiometer,
|
||||
}
|
||||
|
||||
impl SensorArray {
|
||||
/// Create EEG sensor array
|
||||
pub fn eeg(positions: Array2<f64>, labels: Vec<String>) -> Self {
|
||||
Self {
|
||||
positions,
|
||||
orientations: None,
|
||||
labels,
|
||||
sensor_type: SensorType::EEG,
|
||||
}
|
||||
}
|
||||
|
||||
/// Create MEG sensor array
|
||||
pub fn meg(
|
||||
positions: Array2<f64>,
|
||||
orientations: Array2<f64>,
|
||||
labels: Vec<String>,
|
||||
sensor_type: SensorType,
|
||||
) -> Self {
|
||||
Self {
|
||||
positions,
|
||||
orientations: Some(orientations),
|
||||
labels,
|
||||
sensor_type,
|
||||
}
|
||||
}
|
||||
|
||||
/// Number of sensors
|
||||
pub fn n_sensors(&self) -> usize {
|
||||
self.positions.nrows()
|
||||
}
|
||||
|
||||
/// Get sensor positions as vectors
|
||||
pub fn position_vectors(&self) -> Vec<Vector3<f64>> {
|
||||
(0..self.n_sensors())
|
||||
.map(|i| {
|
||||
Vector3::new(
|
||||
self.positions[[i, 0]],
|
||||
self.positions[[i, 1]],
|
||||
self.positions[[i, 2]],
|
||||
)
|
||||
})
|
||||
.collect()
|
||||
}
|
||||
}
|
||||
|
||||
/// Computed lead field matrix
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct LeadField {
|
||||
/// Lead field matrix (n_sensors x n_sources * n_orientations)
|
||||
pub matrix: Array2<f64>,
|
||||
/// Number of sensors
|
||||
pub n_sensors: usize,
|
||||
/// Number of sources
|
||||
pub n_sources: usize,
|
||||
/// Number of orientations per source
|
||||
pub n_orientations: usize,
|
||||
/// Source positions
|
||||
pub source_positions: Array2<f64>,
|
||||
/// Sensor positions
|
||||
pub sensor_positions: Array2<f64>,
|
||||
/// Computation time (seconds)
|
||||
pub computation_time: f64,
|
||||
/// Sources inside mesh
|
||||
pub sources_in_mesh: usize,
|
||||
}
|
||||
|
||||
impl LeadField {
|
||||
/// Get lead field for a single source and orientation
|
||||
pub fn get_column(&self, source_idx: usize, orientation: usize) -> Array1<f64> {
|
||||
let col_idx = source_idx * self.n_orientations + orientation;
|
||||
self.matrix.column(col_idx).to_owned()
|
||||
}
|
||||
|
||||
/// Get lead field for all orientations of a source
|
||||
pub fn get_source(&self, source_idx: usize) -> Array2<f64> {
|
||||
let start = source_idx * self.n_orientations;
|
||||
let end = start + self.n_orientations;
|
||||
self.matrix.slice(ndarray::s![.., start..end]).to_owned()
|
||||
}
|
||||
|
||||
/// Apply lead field: M = L * J
|
||||
pub fn apply(&self, source_currents: &Array1<f64>) -> FemResult<Array1<f64>> {
|
||||
let expected_len = self.n_sources * self.n_orientations;
|
||||
if source_currents.len() != expected_len {
|
||||
return Err(FemError::DimensionMismatch(format!(
|
||||
"Source currents length {} doesn't match expected {}",
|
||||
source_currents.len(),
|
||||
expected_len
|
||||
)));
|
||||
}
|
||||
|
||||
Ok(self.matrix.dot(source_currents))
|
||||
}
|
||||
}
|
||||
|
||||
/// Lead field computer
|
||||
pub struct LeadFieldComputer<'a> {
|
||||
/// Configuration
|
||||
config: LeadFieldConfig,
|
||||
/// FEM assembler
|
||||
assembler: &'a FemAssembler,
|
||||
/// FEM solver
|
||||
solver: FemSolver,
|
||||
/// Transfer matrix for EEG
|
||||
eeg_transfer: Option<TransferMatrix>,
|
||||
}
|
||||
|
||||
impl<'a> LeadFieldComputer<'a> {
|
||||
/// Create lead field computer
|
||||
pub fn new(assembler: &'a FemAssembler, config: LeadFieldConfig) -> FemResult<Self> {
|
||||
let solver = FemSolver::from_assembler(assembler, config.solver_config.clone())?;
|
||||
|
||||
Ok(Self {
|
||||
config,
|
||||
assembler,
|
||||
solver,
|
||||
eeg_transfer: None,
|
||||
})
|
||||
}
|
||||
|
||||
/// Set EEG electrode positions
|
||||
pub fn set_eeg_electrodes(&mut self, electrodes: &[Vector3<f64>]) -> FemResult<()> {
|
||||
self.eeg_transfer = Some(TransferMatrix::compute(self.assembler.mesh(), electrodes)?);
|
||||
Ok(())
|
||||
}
|
||||
|
||||
/// Compute EEG lead field
|
||||
pub fn compute_eeg(
|
||||
&self,
|
||||
sources: &SourceSpace,
|
||||
sensors: &SensorArray,
|
||||
) -> FemResult<LeadField> {
|
||||
let start_time = Instant::now();
|
||||
|
||||
let n_sensors = sensors.n_sensors();
|
||||
let n_sources = sources.n_sources();
|
||||
let n_orient = self.config.n_orientations;
|
||||
let n_cols = n_sources * n_orient;
|
||||
|
||||
if self.config.verbose {
|
||||
eprintln!(
|
||||
"Computing EEG lead field: {} sensors, {} sources, {} orientations",
|
||||
n_sensors, n_sources, n_orient
|
||||
);
|
||||
}
|
||||
|
||||
// Compute transfer matrix if not already set
|
||||
let transfer = if let Some(ref t) = self.eeg_transfer {
|
||||
t.clone()
|
||||
} else {
|
||||
TransferMatrix::compute(self.assembler.mesh(), &sensors.position_vectors())?
|
||||
};
|
||||
|
||||
// Compute lead field columns
|
||||
let mut leadfield = Array2::zeros((n_sensors, n_cols));
|
||||
let mut sources_in_mesh = 0;
|
||||
|
||||
// Define orientation vectors
|
||||
let orientations: Vec<Vector3<f64>> = if n_orient == 1 {
|
||||
vec![Vector3::new(0.0, 0.0, 1.0)]
|
||||
} else {
|
||||
vec![
|
||||
Vector3::new(1.0, 0.0, 0.0),
|
||||
Vector3::new(0.0, 1.0, 0.0),
|
||||
Vector3::new(0.0, 0.0, 1.0),
|
||||
]
|
||||
};
|
||||
|
||||
if self.config.parallel {
|
||||
// Parallel computation over sources
|
||||
let results: Vec<(usize, Vec<Array1<f64>>)> = (0..n_sources)
|
||||
.into_par_iter()
|
||||
.filter_map(|src_idx| {
|
||||
let pos = sources.position(src_idx);
|
||||
|
||||
// Find element containing source
|
||||
let elem_idx = match sources.element_indices.get(src_idx) {
|
||||
Some(Some(idx)) => *idx,
|
||||
_ => self.assembler.mesh().find_element(&pos)?,
|
||||
};
|
||||
|
||||
// Compute for each orientation
|
||||
let mut cols = Vec::with_capacity(n_orient);
|
||||
|
||||
for orient in &orientations {
|
||||
// Create dipole RHS
|
||||
let rhs = self.create_dipole_rhs(src_idx, elem_idx, orient);
|
||||
|
||||
// Solve
|
||||
if let Ok(result) = self.solver.solve(&rhs) {
|
||||
let nodal_potential = Array1::from_vec(result.solution);
|
||||
let sensor_potential = transfer.apply(&nodal_potential);
|
||||
cols.push(sensor_potential);
|
||||
} else {
|
||||
cols.push(Array1::zeros(n_sensors));
|
||||
}
|
||||
}
|
||||
|
||||
Some((src_idx, cols))
|
||||
})
|
||||
.collect();
|
||||
|
||||
// Assemble results
|
||||
for (src_idx, cols) in results {
|
||||
sources_in_mesh += 1;
|
||||
for (orient_idx, col) in cols.iter().enumerate() {
|
||||
let col_idx = src_idx * n_orient + orient_idx;
|
||||
for (row_idx, &val) in col.iter().enumerate() {
|
||||
leadfield[[row_idx, col_idx]] = val;
|
||||
}
|
||||
}
|
||||
}
|
||||
} else {
|
||||
// Sequential computation
|
||||
for src_idx in 0..n_sources {
|
||||
let pos = sources.position(src_idx);
|
||||
|
||||
// Find element
|
||||
let elem_idx = match sources.element_indices.get(src_idx) {
|
||||
Some(Some(idx)) => *idx,
|
||||
_ => {
|
||||
if let Some(idx) = self.assembler.mesh().find_element(&pos) {
|
||||
idx
|
||||
} else {
|
||||
continue;
|
||||
}
|
||||
}
|
||||
};
|
||||
|
||||
sources_in_mesh += 1;
|
||||
|
||||
for (orient_idx, orient) in orientations.iter().enumerate() {
|
||||
let rhs = self.create_dipole_rhs(src_idx, elem_idx, orient);
|
||||
|
||||
if let Ok(result) = self.solver.solve(&rhs) {
|
||||
let nodal_potential = Array1::from_vec(result.solution);
|
||||
let sensor_potential = transfer.apply(&nodal_potential);
|
||||
|
||||
let col_idx = src_idx * n_orient + orient_idx;
|
||||
for (row_idx, &val) in sensor_potential.iter().enumerate() {
|
||||
leadfield[[row_idx, col_idx]] = val;
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
if self.config.verbose && src_idx % 100 == 0 {
|
||||
eprintln!("Computed source {}/{}", src_idx + 1, n_sources);
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
// Apply average reference
|
||||
if self.config.eeg_average_reference {
|
||||
leadfield = self.apply_average_reference(leadfield);
|
||||
}
|
||||
|
||||
let computation_time = start_time.elapsed().as_secs_f64();
|
||||
|
||||
if self.config.verbose {
|
||||
eprintln!(
|
||||
"Lead field computed in {:.2}s ({} sources in mesh)",
|
||||
computation_time, sources_in_mesh
|
||||
);
|
||||
}
|
||||
|
||||
Ok(LeadField {
|
||||
matrix: leadfield,
|
||||
n_sensors,
|
||||
n_sources,
|
||||
n_orientations: n_orient,
|
||||
source_positions: sources.positions.clone(),
|
||||
sensor_positions: sensors.positions.clone(),
|
||||
computation_time,
|
||||
sources_in_mesh,
|
||||
})
|
||||
}
|
||||
|
||||
/// Create RHS vector for a dipole at given position with given orientation
|
||||
fn create_dipole_rhs(
|
||||
&self,
|
||||
_source_idx: usize,
|
||||
element_idx: usize,
|
||||
orientation: &Vector3<f64>,
|
||||
) -> Array1<f64> {
|
||||
let n_nodes = self.assembler.n_nodes();
|
||||
let mut rhs = Array1::zeros(n_nodes);
|
||||
|
||||
let mesh = self.assembler.mesh();
|
||||
let elem = &mesh.elements[element_idx];
|
||||
let grads = elem.shape_gradients(&mesh.nodes);
|
||||
|
||||
// Dipole source: ∫ J_p · ∇φ dV = J_p · ∇φ * V (constant for linear tet)
|
||||
// RHS contribution to node i: q * orientation · grad_i * volume
|
||||
let q = 1.0; // Unit dipole moment
|
||||
|
||||
for (local_idx, &global_idx) in elem.nodes.iter().enumerate() {
|
||||
let grad = &grads[local_idx];
|
||||
rhs[global_idx] = q * orientation.dot(grad) * elem.volume;
|
||||
}
|
||||
|
||||
rhs
|
||||
}
|
||||
|
||||
/// Apply average reference to lead field
|
||||
fn apply_average_reference(&self, mut leadfield: Array2<f64>) -> Array2<f64> {
|
||||
let n_sensors = leadfield.nrows();
|
||||
|
||||
if n_sensors == 0 {
|
||||
return leadfield;
|
||||
}
|
||||
|
||||
// Subtract mean across sensors for each column
|
||||
for mut col in leadfield.axis_iter_mut(Axis(1)) {
|
||||
let mean = col.sum() / n_sensors as f64;
|
||||
col -= mean;
|
||||
}
|
||||
|
||||
leadfield
|
||||
}
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
use crate::assembly::FemAssembler;
|
||||
use crate::conductivity::TissueConductivity;
|
||||
use crate::mesh::HeadMesh;
|
||||
|
||||
fn create_test_assembler() -> FemAssembler {
|
||||
let mesh = HeadMesh::three_layer_sphere(0.08, 0.007, 0.006, 2, 1).unwrap();
|
||||
let conductivity = TissueConductivity::default_isotropic();
|
||||
let mut assembler = FemAssembler::with_defaults(mesh, conductivity);
|
||||
assembler.assemble_global().unwrap();
|
||||
assembler
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_source_space_creation() {
|
||||
let mut positions = Array2::zeros((10, 3));
|
||||
for i in 0..10 {
|
||||
positions[[i, 0]] = i as f64 * 0.01;
|
||||
positions[[i, 1]] = 0.0;
|
||||
positions[[i, 2]] = 0.0;
|
||||
}
|
||||
|
||||
let sources = SourceSpace::from_positions(positions);
|
||||
assert_eq!(sources.n_sources(), 10);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_source_space_grid() {
|
||||
let center = Vector3::new(0.0, 0.0, 0.0);
|
||||
let extent = Vector3::new(0.04, 0.04, 0.04);
|
||||
let spacing = 0.01;
|
||||
|
||||
let sources = SourceSpace::regular_grid(¢er, &extent, spacing);
|
||||
assert!(sources.n_sources() > 0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_sensor_array() {
|
||||
let mut positions = Array2::zeros((19, 3));
|
||||
let labels: Vec<String> = (0..19).map(|i| format!("E{}", i)).collect();
|
||||
|
||||
let sensors = SensorArray::eeg(positions, labels);
|
||||
assert_eq!(sensors.n_sensors(), 19);
|
||||
assert_eq!(sensors.sensor_type, SensorType::EEG);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_leadfield_computer_creation() {
|
||||
let assembler = create_test_assembler();
|
||||
let config = LeadFieldConfig::default();
|
||||
|
||||
let computer = LeadFieldComputer::new(&assembler, config);
|
||||
assert!(computer.is_ok());
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_create_dipole_rhs() {
|
||||
let assembler = create_test_assembler();
|
||||
let config = LeadFieldConfig::default();
|
||||
let computer = LeadFieldComputer::new(&assembler, config).unwrap();
|
||||
|
||||
let orientation = Vector3::new(0.0, 0.0, 1.0);
|
||||
let rhs = computer.create_dipole_rhs(0, 0, &orientation);
|
||||
|
||||
assert_eq!(rhs.len(), assembler.n_nodes());
|
||||
|
||||
// RHS should be sparse (only 4 nodes per element)
|
||||
let nonzeros = rhs.iter().filter(|&&v| v.abs() > 1e-15).count();
|
||||
assert!(nonzeros <= 4);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_source_locate_in_mesh() {
|
||||
let mesh = HeadMesh::three_layer_sphere(0.08, 0.007, 0.006, 2, 1).unwrap();
|
||||
|
||||
let mut positions = Array2::zeros((5, 3));
|
||||
// Points inside mesh
|
||||
positions[[0, 2]] = 0.02; // Center-ish
|
||||
positions[[1, 0]] = 0.04;
|
||||
positions[[2, 1]] = 0.03;
|
||||
// Point outside
|
||||
positions[[3, 2]] = 0.5;
|
||||
// Another inside
|
||||
positions[[4, 2]] = 0.05;
|
||||
|
||||
let mut sources = SourceSpace::from_positions(positions);
|
||||
sources.locate_in_mesh(&mesh);
|
||||
|
||||
// Some should be found
|
||||
let found = sources
|
||||
.element_indices
|
||||
.iter()
|
||||
.filter(|x| x.is_some())
|
||||
.count();
|
||||
assert!(found >= 2);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_average_reference() {
|
||||
let assembler = create_test_assembler();
|
||||
let config = LeadFieldConfig {
|
||||
eeg_average_reference: true,
|
||||
..Default::default()
|
||||
};
|
||||
let computer = LeadFieldComputer::new(&assembler, config).unwrap();
|
||||
|
||||
// Create test matrix
|
||||
let mut matrix = Array2::zeros((10, 5));
|
||||
for i in 0..10 {
|
||||
for j in 0..5 {
|
||||
matrix[[i, j]] = (i + j) as f64;
|
||||
}
|
||||
}
|
||||
|
||||
let ref_matrix = computer.apply_average_reference(matrix);
|
||||
|
||||
// Each column should have zero mean
|
||||
for j in 0..5 {
|
||||
let col_sum: f64 = ref_matrix.column(j).sum();
|
||||
assert!(col_sum.abs() < 1e-10, "Column {} sum = {}", j, col_sum);
|
||||
}
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_leadfield_apply() {
|
||||
// Create a simple lead field
|
||||
let matrix = Array2::from_shape_vec(
|
||||
(3, 6),
|
||||
vec![
|
||||
1.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 2.0, 0.0, 0.0, 0.0, 1.0, 0.0,
|
||||
0.0, 2.0,
|
||||
],
|
||||
)
|
||||
.unwrap();
|
||||
|
||||
let leadfield = LeadField {
|
||||
matrix,
|
||||
n_sensors: 3,
|
||||
n_sources: 2,
|
||||
n_orientations: 3,
|
||||
source_positions: Array2::zeros((2, 3)),
|
||||
sensor_positions: Array2::zeros((3, 3)),
|
||||
computation_time: 0.0,
|
||||
sources_in_mesh: 2,
|
||||
};
|
||||
|
||||
// Apply to source currents
|
||||
let currents = Array1::from_vec(vec![1.0, 0.0, 0.0, 0.0, 1.0, 0.0]);
|
||||
let sensors = leadfield.apply(¤ts).unwrap();
|
||||
|
||||
assert_eq!(sensors.len(), 3);
|
||||
assert!((sensors[0] - 1.0).abs() < 1e-10);
|
||||
assert!((sensors[1] - 2.0).abs() < 1e-10);
|
||||
assert!((sensors[2] - 0.0).abs() < 1e-10);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_leadfield_get_source() {
|
||||
let matrix = Array2::from_shape_vec(
|
||||
(2, 6),
|
||||
vec![
|
||||
1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0, 8.0, 9.0, 10.0, 11.0, 12.0,
|
||||
],
|
||||
)
|
||||
.unwrap();
|
||||
|
||||
let leadfield = LeadField {
|
||||
matrix,
|
||||
n_sensors: 2,
|
||||
n_sources: 2,
|
||||
n_orientations: 3,
|
||||
source_positions: Array2::zeros((2, 3)),
|
||||
sensor_positions: Array2::zeros((2, 3)),
|
||||
computation_time: 0.0,
|
||||
sources_in_mesh: 2,
|
||||
};
|
||||
|
||||
// Get first source
|
||||
let src0 = leadfield.get_source(0);
|
||||
assert_eq!(src0.dim(), (2, 3));
|
||||
assert!((src0[[0, 0]] - 1.0).abs() < 1e-10);
|
||||
assert!((src0[[0, 2]] - 3.0).abs() < 1e-10);
|
||||
|
||||
// Get second source
|
||||
let src1 = leadfield.get_source(1);
|
||||
assert!((src1[[0, 0]] - 4.0).abs() < 1e-10);
|
||||
}
|
||||
}
|
||||
@@ -0,0 +1,75 @@
|
||||
//! # rtx-neuro-fem
|
||||
//!
|
||||
//! GPU-Accelerated Finite Element Head Modeling for MEG/EEG forward solutions.
|
||||
//!
|
||||
//! This crate provides realistic head models using the Finite Element Method (FEM)
|
||||
//! with GPU-accelerated solvers for computing electric potentials and lead fields.
|
||||
//!
|
||||
//! ## Key Features
|
||||
//!
|
||||
//! - **Tetrahedral Meshing**: Automatic mesh generation from FreeSurfer surfaces
|
||||
//! - **Multi-Layer Models**: Support for scalp, skull, CSF, gray/white matter
|
||||
//! - **Anisotropic Conductivity**: DTI-based white matter anisotropy
|
||||
//! - **GPU Acceleration**: Leverages rtx-fea for fast sparse solvers
|
||||
//! - **Lead Field Computation**: Efficient gain matrix calculation
|
||||
//!
|
||||
//! ## Head Model Layers
|
||||
//!
|
||||
//! ```text
|
||||
//! ┌─────────────────────────────────────┐
|
||||
//! │ Scalp (σ=0.43 S/m) │
|
||||
//! ├─────────────────────────────────────┤
|
||||
//! │ Skull (σ=0.01 S/m) │ ← Anisotropic
|
||||
//! ├─────────────────────────────────────┤
|
||||
//! │ CSF (σ=1.79 S/m) │
|
||||
//! ├─────────────────────────────────────┤
|
||||
//! │ Gray Matter (σ=0.33 S/m) │
|
||||
//! ├─────────────────────────────────────┤
|
||||
//! │ White Matter (σ=0.14 S/m tensor) │ ← Anisotropic from DTI
|
||||
//! └─────────────────────────────────────┘
|
||||
//! ```
|
||||
//!
|
||||
//! ## Example
|
||||
//!
|
||||
//! ```ignore
|
||||
//! use rtx_neuro_fem::{HeadFEM, HeadFEMConfig, TissueConfig};
|
||||
//!
|
||||
//! // Create FEM model from FreeSurfer surfaces
|
||||
//! let config = HeadFEMConfig::standard_5_layer();
|
||||
//!
|
||||
//! let mut fem = HeadFEM::new(config)?;
|
||||
//!
|
||||
//! // Generate mesh from surfaces
|
||||
//! fem.mesh_from_surfaces(&surfaces)?;
|
||||
//!
|
||||
//! // Compute lead field matrix
|
||||
//! let leadfield = fem.compute_leadfield(&source_space, &sensors)?;
|
||||
//! ```
|
||||
|
||||
#![warn(missing_docs)]
|
||||
|
||||
pub mod assembly;
|
||||
pub mod conductivity;
|
||||
pub mod error;
|
||||
pub mod leadfield;
|
||||
pub mod mesh;
|
||||
pub mod solver;
|
||||
|
||||
// Re-export main types
|
||||
pub use assembly::{FemAssembler, StiffnessMatrix};
|
||||
pub use conductivity::{AnisotropicModel, ConductivityTensor, TissueConductivity};
|
||||
pub use error::{FemError, FemResult};
|
||||
pub use leadfield::{LeadField, LeadFieldConfig};
|
||||
pub use mesh::{HeadMesh, MeshQuality, TetElement};
|
||||
pub use solver::{FemSolver, SolverConfig};
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
|
||||
#[test]
|
||||
fn test_basic_imports() {
|
||||
// Test that main types are accessible
|
||||
let _: FemResult<()> = Ok(());
|
||||
}
|
||||
}
|
||||
@@ -0,0 +1,748 @@
|
||||
//! Tetrahedral mesh generation for head models.
|
||||
//!
|
||||
//! Provides mesh generation from FreeSurfer surfaces and layered
|
||||
//! spherical models for FEM forward solutions.
|
||||
|
||||
use crate::error::{FemError, FemResult};
|
||||
use nalgebra::{Matrix3, Vector3};
|
||||
use ndarray::Array2;
|
||||
use serde::{Deserialize, Serialize};
|
||||
use std::collections::HashMap;
|
||||
|
||||
/// Tissue layer identifier
|
||||
#[derive(Debug, Clone, Copy, PartialEq, Eq, Hash, Serialize, Deserialize)]
|
||||
pub enum TissueLayer {
|
||||
/// Scalp/skin layer
|
||||
Scalp,
|
||||
/// Skull bone
|
||||
Skull,
|
||||
/// Cerebrospinal fluid
|
||||
Csf,
|
||||
/// Gray matter (cortex)
|
||||
GrayMatter,
|
||||
/// White matter
|
||||
WhiteMatter,
|
||||
/// Air (sinuses)
|
||||
Air,
|
||||
}
|
||||
|
||||
impl TissueLayer {
|
||||
/// Get layer index for mesh material ID
|
||||
pub fn index(&self) -> usize {
|
||||
match self {
|
||||
TissueLayer::WhiteMatter => 0,
|
||||
TissueLayer::GrayMatter => 1,
|
||||
TissueLayer::Csf => 2,
|
||||
TissueLayer::Skull => 3,
|
||||
TissueLayer::Scalp => 4,
|
||||
TissueLayer::Air => 5,
|
||||
}
|
||||
}
|
||||
|
||||
/// Get layer from index
|
||||
pub fn from_index(idx: usize) -> Option<Self> {
|
||||
match idx {
|
||||
0 => Some(TissueLayer::WhiteMatter),
|
||||
1 => Some(TissueLayer::GrayMatter),
|
||||
2 => Some(TissueLayer::Csf),
|
||||
3 => Some(TissueLayer::Skull),
|
||||
4 => Some(TissueLayer::Scalp),
|
||||
5 => Some(TissueLayer::Air),
|
||||
_ => None,
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
/// A node in the tetrahedral mesh
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct MeshNode {
|
||||
/// Node ID
|
||||
pub id: usize,
|
||||
/// Position in 3D space (meters)
|
||||
pub position: Vector3<f64>,
|
||||
/// Whether this is a boundary node
|
||||
pub is_boundary: bool,
|
||||
}
|
||||
|
||||
impl MeshNode {
|
||||
/// Create a new mesh node
|
||||
pub fn new(id: usize, x: f64, y: f64, z: f64) -> Self {
|
||||
Self {
|
||||
id,
|
||||
position: Vector3::new(x, y, z),
|
||||
is_boundary: false,
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
/// A tetrahedral element
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct TetElement {
|
||||
/// Element ID
|
||||
pub id: usize,
|
||||
/// Node indices (4 nodes for linear tetrahedron)
|
||||
pub nodes: [usize; 4],
|
||||
/// Tissue layer this element belongs to
|
||||
pub tissue: TissueLayer,
|
||||
/// Element volume (m³)
|
||||
pub volume: f64,
|
||||
}
|
||||
|
||||
impl TetElement {
|
||||
/// Create a new tetrahedral element
|
||||
pub fn new(id: usize, nodes: [usize; 4], tissue: TissueLayer) -> Self {
|
||||
Self {
|
||||
id,
|
||||
nodes,
|
||||
tissue,
|
||||
volume: 0.0,
|
||||
}
|
||||
}
|
||||
|
||||
/// Compute element volume from node positions
|
||||
pub fn compute_volume(&mut self, mesh_nodes: &[MeshNode]) -> f64 {
|
||||
let p0 = &mesh_nodes[self.nodes[0]].position;
|
||||
let p1 = &mesh_nodes[self.nodes[1]].position;
|
||||
let p2 = &mesh_nodes[self.nodes[2]].position;
|
||||
let p3 = &mesh_nodes[self.nodes[3]].position;
|
||||
|
||||
// Volume = |det([p1-p0, p2-p0, p3-p0])| / 6
|
||||
let v1 = p1 - p0;
|
||||
let v2 = p2 - p0;
|
||||
let v3 = p3 - p0;
|
||||
|
||||
let det = v1.dot(&v2.cross(&v3));
|
||||
self.volume = det.abs() / 6.0;
|
||||
self.volume
|
||||
}
|
||||
|
||||
/// Compute shape function gradients (constant for linear tet)
|
||||
pub fn shape_gradients(&self, mesh_nodes: &[MeshNode]) -> [Vector3<f64>; 4] {
|
||||
let p0 = &mesh_nodes[self.nodes[0]].position;
|
||||
let p1 = &mesh_nodes[self.nodes[1]].position;
|
||||
let p2 = &mesh_nodes[self.nodes[2]].position;
|
||||
let p3 = &mesh_nodes[self.nodes[3]].position;
|
||||
|
||||
// Jacobian matrix
|
||||
let j = Matrix3::new(
|
||||
p1.x - p0.x,
|
||||
p2.x - p0.x,
|
||||
p3.x - p0.x,
|
||||
p1.y - p0.y,
|
||||
p2.y - p0.y,
|
||||
p3.y - p0.y,
|
||||
p1.z - p0.z,
|
||||
p2.z - p0.z,
|
||||
p3.z - p0.z,
|
||||
);
|
||||
|
||||
let det = j.determinant();
|
||||
if det.abs() < 1e-15 {
|
||||
return [Vector3::zeros(); 4];
|
||||
}
|
||||
|
||||
let j_inv = j.try_inverse().unwrap_or(Matrix3::identity());
|
||||
|
||||
// Shape function gradients in reference coordinates
|
||||
// N0 = 1 - xi - eta - zeta, N1 = xi, N2 = eta, N3 = zeta
|
||||
let grad_ref = [
|
||||
Vector3::new(-1.0, -1.0, -1.0),
|
||||
Vector3::new(1.0, 0.0, 0.0),
|
||||
Vector3::new(0.0, 1.0, 0.0),
|
||||
Vector3::new(0.0, 0.0, 1.0),
|
||||
];
|
||||
|
||||
// Transform to physical coordinates
|
||||
[
|
||||
j_inv.transpose() * grad_ref[0],
|
||||
j_inv.transpose() * grad_ref[1],
|
||||
j_inv.transpose() * grad_ref[2],
|
||||
j_inv.transpose() * grad_ref[3],
|
||||
]
|
||||
}
|
||||
|
||||
/// Get element centroid
|
||||
pub fn centroid(&self, mesh_nodes: &[MeshNode]) -> Vector3<f64> {
|
||||
let mut c = Vector3::zeros();
|
||||
for &ni in &self.nodes {
|
||||
c += mesh_nodes[ni].position;
|
||||
}
|
||||
c / 4.0
|
||||
}
|
||||
}
|
||||
|
||||
/// Mesh quality metrics
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct MeshQuality {
|
||||
/// Minimum element volume
|
||||
pub min_volume: f64,
|
||||
/// Maximum element volume
|
||||
pub max_volume: f64,
|
||||
/// Average element volume
|
||||
pub avg_volume: f64,
|
||||
/// Minimum aspect ratio (1 = ideal)
|
||||
pub min_aspect_ratio: f64,
|
||||
/// Average aspect ratio
|
||||
pub avg_aspect_ratio: f64,
|
||||
/// Number of degenerate elements (volume < tolerance)
|
||||
pub n_degenerate: usize,
|
||||
}
|
||||
|
||||
/// Head mesh for FEM forward modeling
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct HeadMesh {
|
||||
/// Mesh nodes
|
||||
pub nodes: Vec<MeshNode>,
|
||||
/// Tetrahedral elements
|
||||
pub elements: Vec<TetElement>,
|
||||
/// Number of elements per tissue layer
|
||||
pub elements_per_layer: HashMap<TissueLayer, usize>,
|
||||
/// Mesh quality metrics
|
||||
pub quality: Option<MeshQuality>,
|
||||
}
|
||||
|
||||
impl HeadMesh {
|
||||
/// Create a new empty head mesh
|
||||
pub fn new() -> Self {
|
||||
Self {
|
||||
nodes: Vec::new(),
|
||||
elements: Vec::new(),
|
||||
elements_per_layer: HashMap::new(),
|
||||
quality: None,
|
||||
}
|
||||
}
|
||||
|
||||
/// Create a layered spherical head mesh
|
||||
///
|
||||
/// # Arguments
|
||||
/// * `radii` - Radii for each layer boundary (inner to outer)
|
||||
/// * `n_radial` - Number of radial divisions per layer
|
||||
/// * `n_angular` - Number of angular divisions (icosahedral refinement level)
|
||||
pub fn spherical(
|
||||
radii: &[(TissueLayer, f64)],
|
||||
n_radial: usize,
|
||||
n_angular: usize,
|
||||
) -> FemResult<Self> {
|
||||
let mut mesh = HeadMesh::new();
|
||||
|
||||
if radii.is_empty() {
|
||||
return Err(FemError::InvalidMesh("No layer radii specified".into()));
|
||||
}
|
||||
|
||||
// Generate nodes on concentric spherical shells
|
||||
let n_shells = radii.len() * n_radial + 1;
|
||||
let mut shell_radii = Vec::with_capacity(n_shells);
|
||||
|
||||
// Inner point at center
|
||||
shell_radii.push(0.0);
|
||||
|
||||
for (i, (_, outer_r)) in radii.iter().enumerate() {
|
||||
let inner_r = if i == 0 { 0.0 } else { radii[i - 1].1 };
|
||||
for j in 1..=n_radial {
|
||||
let t = j as f64 / n_radial as f64;
|
||||
let r = inner_r + t * (outer_r - inner_r);
|
||||
shell_radii.push(r);
|
||||
}
|
||||
}
|
||||
|
||||
// Generate icosahedral points on each shell
|
||||
let ico_points = generate_icosahedral_points(n_angular);
|
||||
let n_points_per_shell = ico_points.len();
|
||||
|
||||
// Center node
|
||||
mesh.nodes.push(MeshNode::new(0, 0.0, 0.0, 0.0));
|
||||
|
||||
// Nodes on shells
|
||||
for (shell_idx, &r) in shell_radii.iter().enumerate().skip(1) {
|
||||
for (pt_idx, pt) in ico_points.iter().enumerate() {
|
||||
let node_id = 1 + (shell_idx - 1) * n_points_per_shell + pt_idx;
|
||||
let pos = pt * r;
|
||||
let mut node = MeshNode::new(node_id, pos.x, pos.y, pos.z);
|
||||
node.is_boundary = shell_idx == shell_radii.len() - 1;
|
||||
mesh.nodes.push(node);
|
||||
}
|
||||
}
|
||||
|
||||
// Generate tetrahedral elements
|
||||
// Connect center to first shell
|
||||
let first_shell_start = 1;
|
||||
for tri in generate_icosahedral_triangles(n_angular) {
|
||||
let n0 = 0; // center
|
||||
let n1 = first_shell_start + tri[0];
|
||||
let n2 = first_shell_start + tri[1];
|
||||
let n3 = first_shell_start + tri[2];
|
||||
|
||||
let tissue = radii[0].0;
|
||||
let elem_id = mesh.elements.len();
|
||||
mesh.elements
|
||||
.push(TetElement::new(elem_id, [n0, n1, n2, n3], tissue));
|
||||
}
|
||||
|
||||
// Connect adjacent shells with prism-split tetrahedra
|
||||
for shell in 1..shell_radii.len() - 1 {
|
||||
let inner_start = 1 + (shell - 1) * n_points_per_shell;
|
||||
let outer_start = inner_start + n_points_per_shell;
|
||||
|
||||
// Determine tissue layer
|
||||
let layer_idx = shell / n_radial;
|
||||
let tissue = radii[layer_idx.min(radii.len() - 1)].0;
|
||||
|
||||
for tri in generate_icosahedral_triangles(n_angular) {
|
||||
// Inner and outer triangle nodes
|
||||
let i0 = inner_start + tri[0];
|
||||
let i1 = inner_start + tri[1];
|
||||
let i2 = inner_start + tri[2];
|
||||
let o0 = outer_start + tri[0];
|
||||
let o1 = outer_start + tri[1];
|
||||
let o2 = outer_start + tri[2];
|
||||
|
||||
// Split prism into 3 tetrahedra
|
||||
let elem_id = mesh.elements.len();
|
||||
mesh.elements
|
||||
.push(TetElement::new(elem_id, [i0, i1, i2, o0], tissue));
|
||||
mesh.elements
|
||||
.push(TetElement::new(elem_id + 1, [i1, i2, o0, o1], tissue));
|
||||
mesh.elements
|
||||
.push(TetElement::new(elem_id + 2, [i2, o0, o1, o2], tissue));
|
||||
}
|
||||
}
|
||||
|
||||
// Compute element volumes and count per layer
|
||||
for elem in &mut mesh.elements {
|
||||
elem.compute_volume(&mesh.nodes);
|
||||
*mesh.elements_per_layer.entry(elem.tissue).or_insert(0) += 1;
|
||||
}
|
||||
|
||||
mesh.compute_quality();
|
||||
|
||||
Ok(mesh)
|
||||
}
|
||||
|
||||
/// Create a simple 3-layer spherical head
|
||||
pub fn three_layer_sphere(
|
||||
brain_radius: f64,
|
||||
skull_thickness: f64,
|
||||
scalp_thickness: f64,
|
||||
n_radial: usize,
|
||||
n_angular: usize,
|
||||
) -> FemResult<Self> {
|
||||
let radii = vec![
|
||||
(TissueLayer::GrayMatter, brain_radius),
|
||||
(TissueLayer::Skull, brain_radius + skull_thickness),
|
||||
(
|
||||
TissueLayer::Scalp,
|
||||
brain_radius + skull_thickness + scalp_thickness,
|
||||
),
|
||||
];
|
||||
|
||||
Self::spherical(&radii, n_radial, n_angular)
|
||||
}
|
||||
|
||||
/// Create a 5-layer spherical head (with CSF and white matter)
|
||||
pub fn five_layer_sphere(
|
||||
white_radius: f64,
|
||||
gray_thickness: f64,
|
||||
csf_thickness: f64,
|
||||
skull_thickness: f64,
|
||||
scalp_thickness: f64,
|
||||
n_radial: usize,
|
||||
n_angular: usize,
|
||||
) -> FemResult<Self> {
|
||||
let gray_r = white_radius + gray_thickness;
|
||||
let csf_r = gray_r + csf_thickness;
|
||||
let skull_r = csf_r + skull_thickness;
|
||||
let scalp_r = skull_r + scalp_thickness;
|
||||
|
||||
let radii = vec![
|
||||
(TissueLayer::WhiteMatter, white_radius),
|
||||
(TissueLayer::GrayMatter, gray_r),
|
||||
(TissueLayer::Csf, csf_r),
|
||||
(TissueLayer::Skull, skull_r),
|
||||
(TissueLayer::Scalp, scalp_r),
|
||||
];
|
||||
|
||||
Self::spherical(&radii, n_radial, n_angular)
|
||||
}
|
||||
|
||||
/// Number of nodes
|
||||
pub fn n_nodes(&self) -> usize {
|
||||
self.nodes.len()
|
||||
}
|
||||
|
||||
/// Number of elements
|
||||
pub fn n_elements(&self) -> usize {
|
||||
self.elements.len()
|
||||
}
|
||||
|
||||
/// Compute mesh quality metrics
|
||||
pub fn compute_quality(&mut self) {
|
||||
if self.elements.is_empty() {
|
||||
return;
|
||||
}
|
||||
|
||||
let mut min_vol = f64::MAX;
|
||||
let mut max_vol: f64 = 0.0;
|
||||
let mut sum_vol: f64 = 0.0;
|
||||
let mut n_degenerate = 0;
|
||||
let mut sum_aspect = 0.0;
|
||||
let mut min_aspect = f64::MAX;
|
||||
let vol_tol = 1e-20;
|
||||
|
||||
for elem in &self.elements {
|
||||
let vol = elem.volume;
|
||||
min_vol = min_vol.min(vol);
|
||||
max_vol = max_vol.max(vol);
|
||||
sum_vol += vol;
|
||||
|
||||
if vol < vol_tol {
|
||||
n_degenerate += 1;
|
||||
}
|
||||
|
||||
// Compute aspect ratio (edge length ratio)
|
||||
let aspect = self.element_aspect_ratio(elem);
|
||||
sum_aspect += aspect;
|
||||
min_aspect = min_aspect.min(aspect);
|
||||
}
|
||||
|
||||
let n = self.elements.len() as f64;
|
||||
self.quality = Some(MeshQuality {
|
||||
min_volume: min_vol,
|
||||
max_volume: max_vol,
|
||||
avg_volume: sum_vol / n,
|
||||
min_aspect_ratio: min_aspect,
|
||||
avg_aspect_ratio: sum_aspect / n,
|
||||
n_degenerate,
|
||||
});
|
||||
}
|
||||
|
||||
/// Compute aspect ratio for an element (shortest edge / longest edge)
|
||||
fn element_aspect_ratio(&self, elem: &TetElement) -> f64 {
|
||||
let edges = [(0, 1), (0, 2), (0, 3), (1, 2), (1, 3), (2, 3)];
|
||||
|
||||
let mut min_len = f64::MAX;
|
||||
let mut max_len: f64 = 0.0;
|
||||
|
||||
for (i, j) in edges {
|
||||
let p1 = &self.nodes[elem.nodes[i]].position;
|
||||
let p2 = &self.nodes[elem.nodes[j]].position;
|
||||
let len = (p1 - p2).norm();
|
||||
min_len = min_len.min(len);
|
||||
max_len = max_len.max(len);
|
||||
}
|
||||
|
||||
if max_len > 1e-15 {
|
||||
min_len / max_len
|
||||
} else {
|
||||
0.0
|
||||
}
|
||||
}
|
||||
|
||||
/// Get total mesh volume
|
||||
pub fn total_volume(&self) -> f64 {
|
||||
self.elements.iter().map(|e| e.volume).sum()
|
||||
}
|
||||
|
||||
/// Get volume per tissue layer
|
||||
pub fn volume_per_layer(&self) -> HashMap<TissueLayer, f64> {
|
||||
let mut volumes = HashMap::new();
|
||||
for elem in &self.elements {
|
||||
*volumes.entry(elem.tissue).or_insert(0.0) += elem.volume;
|
||||
}
|
||||
volumes
|
||||
}
|
||||
|
||||
/// Find element containing a point
|
||||
pub fn find_element(&self, point: &Vector3<f64>) -> Option<usize> {
|
||||
for (i, elem) in self.elements.iter().enumerate() {
|
||||
if self.point_in_element(elem, point) {
|
||||
return Some(i);
|
||||
}
|
||||
}
|
||||
None
|
||||
}
|
||||
|
||||
/// Check if a point is inside an element using barycentric coordinates
|
||||
fn point_in_element(&self, elem: &TetElement, point: &Vector3<f64>) -> bool {
|
||||
let p0 = &self.nodes[elem.nodes[0]].position;
|
||||
let p1 = &self.nodes[elem.nodes[1]].position;
|
||||
let p2 = &self.nodes[elem.nodes[2]].position;
|
||||
let p3 = &self.nodes[elem.nodes[3]].position;
|
||||
|
||||
// Compute barycentric coordinates
|
||||
let v0 = p1 - p0;
|
||||
let v1 = p2 - p0;
|
||||
let v2 = p3 - p0;
|
||||
let vp = point - p0;
|
||||
|
||||
let d00 = v0.dot(&v0);
|
||||
let d01 = v0.dot(&v1);
|
||||
let d02 = v0.dot(&v2);
|
||||
let d11 = v1.dot(&v1);
|
||||
let d12 = v1.dot(&v2);
|
||||
let d22 = v2.dot(&v2);
|
||||
let dp0 = vp.dot(&v0);
|
||||
let dp1 = vp.dot(&v1);
|
||||
let dp2 = vp.dot(&v2);
|
||||
|
||||
let det = d00 * (d11 * d22 - d12 * d12) - d01 * (d01 * d22 - d12 * d02)
|
||||
+ d02 * (d01 * d12 - d11 * d02);
|
||||
|
||||
if det.abs() < 1e-15 {
|
||||
return false;
|
||||
}
|
||||
|
||||
let inv_det = 1.0 / det;
|
||||
|
||||
// Compute barycentric coordinates
|
||||
let l1 = inv_det
|
||||
* (dp0 * (d11 * d22 - d12 * d12)
|
||||
+ dp1 * (d02 * d12 - d01 * d22)
|
||||
+ dp2 * (d01 * d12 - d02 * d11));
|
||||
let l2 = inv_det
|
||||
* (dp0 * (d12 * d02 - d01 * d22)
|
||||
+ dp1 * (d00 * d22 - d02 * d02)
|
||||
+ dp2 * (d01 * d02 - d00 * d12));
|
||||
let l3 = inv_det
|
||||
* (dp0 * (d01 * d12 - d11 * d02)
|
||||
+ dp1 * (d01 * d02 - d00 * d12)
|
||||
+ dp2 * (d00 * d11 - d01 * d01));
|
||||
let l0 = 1.0 - l1 - l2 - l3;
|
||||
|
||||
let eps = -1e-10;
|
||||
l0 >= eps && l1 >= eps && l2 >= eps && l3 >= eps
|
||||
}
|
||||
|
||||
/// Get node positions as array
|
||||
pub fn node_positions(&self) -> Array2<f64> {
|
||||
let n = self.nodes.len();
|
||||
let mut pos = Array2::zeros((n, 3));
|
||||
for (i, node) in self.nodes.iter().enumerate() {
|
||||
pos[[i, 0]] = node.position.x;
|
||||
pos[[i, 1]] = node.position.y;
|
||||
pos[[i, 2]] = node.position.z;
|
||||
}
|
||||
pos
|
||||
}
|
||||
|
||||
/// Get element connectivity as array
|
||||
pub fn element_connectivity(&self) -> Array2<usize> {
|
||||
let n = self.elements.len();
|
||||
let mut conn = Array2::zeros((n, 4));
|
||||
for (i, elem) in self.elements.iter().enumerate() {
|
||||
for j in 0..4 {
|
||||
conn[[i, j]] = elem.nodes[j];
|
||||
}
|
||||
}
|
||||
conn
|
||||
}
|
||||
}
|
||||
|
||||
impl Default for HeadMesh {
|
||||
fn default() -> Self {
|
||||
Self::new()
|
||||
}
|
||||
}
|
||||
|
||||
/// Generate icosahedral sphere mesh (vertices and faces) at given refinement level
|
||||
fn generate_icosahedral_mesh(refinement: usize) -> (Vec<Vector3<f64>>, Vec<[usize; 3]>) {
|
||||
// Base icosahedron vertices
|
||||
let phi = f64::midpoint(1.0, 5.0_f64.sqrt());
|
||||
let scale = 1.0 / (1.0 + phi * phi).sqrt();
|
||||
|
||||
let mut vertices = vec![
|
||||
Vector3::new(0.0, 1.0, phi) * scale,
|
||||
Vector3::new(0.0, -1.0, phi) * scale,
|
||||
Vector3::new(0.0, 1.0, -phi) * scale,
|
||||
Vector3::new(0.0, -1.0, -phi) * scale,
|
||||
Vector3::new(1.0, phi, 0.0) * scale,
|
||||
Vector3::new(-1.0, phi, 0.0) * scale,
|
||||
Vector3::new(1.0, -phi, 0.0) * scale,
|
||||
Vector3::new(-1.0, -phi, 0.0) * scale,
|
||||
Vector3::new(phi, 0.0, 1.0) * scale,
|
||||
Vector3::new(-phi, 0.0, 1.0) * scale,
|
||||
Vector3::new(phi, 0.0, -1.0) * scale,
|
||||
Vector3::new(-phi, 0.0, -1.0) * scale,
|
||||
];
|
||||
|
||||
let mut faces = vec![
|
||||
[0, 1, 8],
|
||||
[0, 8, 4],
|
||||
[0, 4, 5],
|
||||
[0, 5, 9],
|
||||
[0, 9, 1],
|
||||
[1, 6, 8],
|
||||
[8, 6, 10],
|
||||
[8, 10, 4],
|
||||
[4, 10, 2],
|
||||
[4, 2, 5],
|
||||
[5, 2, 11],
|
||||
[5, 11, 9],
|
||||
[9, 11, 7],
|
||||
[9, 7, 1],
|
||||
[1, 7, 6],
|
||||
[3, 6, 7],
|
||||
[3, 7, 11],
|
||||
[3, 11, 2],
|
||||
[3, 2, 10],
|
||||
[3, 10, 6],
|
||||
];
|
||||
|
||||
// Refine by subdividing triangles
|
||||
for _ in 0..refinement {
|
||||
let mut new_faces = Vec::with_capacity(faces.len() * 4);
|
||||
let mut edge_midpoints: HashMap<(usize, usize), usize> = HashMap::new();
|
||||
|
||||
for face in &faces {
|
||||
let mut mid = [0usize; 3];
|
||||
|
||||
for i in 0..3 {
|
||||
let (a, b) = (face[i], face[(i + 1) % 3]);
|
||||
let key = if a < b { (a, b) } else { (b, a) };
|
||||
|
||||
mid[i] = *edge_midpoints.entry(key).or_insert_with(|| {
|
||||
let midpoint = (vertices[a] + vertices[b]).normalize();
|
||||
vertices.push(midpoint);
|
||||
vertices.len() - 1
|
||||
});
|
||||
}
|
||||
|
||||
// Create 4 new triangles
|
||||
new_faces.push([face[0], mid[0], mid[2]]);
|
||||
new_faces.push([face[1], mid[1], mid[0]]);
|
||||
new_faces.push([face[2], mid[2], mid[1]]);
|
||||
new_faces.push([mid[0], mid[1], mid[2]]);
|
||||
}
|
||||
|
||||
faces = new_faces;
|
||||
}
|
||||
|
||||
(vertices, faces)
|
||||
}
|
||||
|
||||
/// Generate points on an icosahedral sphere at given refinement level
|
||||
fn generate_icosahedral_points(refinement: usize) -> Vec<Vector3<f64>> {
|
||||
let (vertices, _) = generate_icosahedral_mesh(refinement);
|
||||
vertices
|
||||
}
|
||||
|
||||
/// Generate icosahedral triangle indices at given refinement level
|
||||
fn generate_icosahedral_triangles(refinement: usize) -> Vec<[usize; 3]> {
|
||||
let (_, faces) = generate_icosahedral_mesh(refinement);
|
||||
faces
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
|
||||
#[test]
|
||||
fn test_tissue_layer_index() {
|
||||
assert_eq!(TissueLayer::WhiteMatter.index(), 0);
|
||||
assert_eq!(TissueLayer::Scalp.index(), 4);
|
||||
assert_eq!(TissueLayer::from_index(0), Some(TissueLayer::WhiteMatter));
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_mesh_node() {
|
||||
let node = MeshNode::new(0, 1.0, 2.0, 3.0);
|
||||
assert_eq!(node.id, 0);
|
||||
assert!((node.position.x - 1.0).abs() < 1e-10);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_tet_element_volume() {
|
||||
let nodes = vec![
|
||||
MeshNode::new(0, 0.0, 0.0, 0.0),
|
||||
MeshNode::new(1, 1.0, 0.0, 0.0),
|
||||
MeshNode::new(2, 0.0, 1.0, 0.0),
|
||||
MeshNode::new(3, 0.0, 0.0, 1.0),
|
||||
];
|
||||
|
||||
let mut elem = TetElement::new(0, [0, 1, 2, 3], TissueLayer::GrayMatter);
|
||||
let vol = elem.compute_volume(&nodes);
|
||||
|
||||
// Volume of unit tetrahedron = 1/6
|
||||
assert!((vol - 1.0 / 6.0).abs() < 1e-10);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_icosahedral_points() {
|
||||
let points = generate_icosahedral_points(0);
|
||||
assert_eq!(points.len(), 12); // Base icosahedron
|
||||
|
||||
let points = generate_icosahedral_points(1);
|
||||
assert!(points.len() > 12); // Refined
|
||||
|
||||
// All points should be on unit sphere
|
||||
for p in &points {
|
||||
assert!((p.norm() - 1.0).abs() < 1e-10);
|
||||
}
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_three_layer_sphere() {
|
||||
let mesh = HeadMesh::three_layer_sphere(
|
||||
0.08, // brain
|
||||
0.007, // skull
|
||||
0.006, // scalp
|
||||
2, // radial divisions
|
||||
1, // angular refinement
|
||||
)
|
||||
.unwrap();
|
||||
|
||||
assert!(mesh.n_nodes() > 0);
|
||||
assert!(mesh.n_elements() > 0);
|
||||
|
||||
// Should have elements in each layer
|
||||
assert!(
|
||||
mesh.elements_per_layer
|
||||
.contains_key(&TissueLayer::GrayMatter)
|
||||
);
|
||||
assert!(mesh.elements_per_layer.contains_key(&TissueLayer::Skull));
|
||||
assert!(mesh.elements_per_layer.contains_key(&TissueLayer::Scalp));
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_five_layer_sphere() {
|
||||
let mesh = HeadMesh::five_layer_sphere(
|
||||
0.06, // white matter
|
||||
0.015, // gray matter
|
||||
0.002, // CSF
|
||||
0.007, // skull
|
||||
0.006, // scalp
|
||||
2, 1,
|
||||
)
|
||||
.unwrap();
|
||||
|
||||
assert!(mesh.n_nodes() > 0);
|
||||
assert!(mesh.n_elements() > 0);
|
||||
assert!(mesh.elements_per_layer.len() == 5);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_mesh_quality() {
|
||||
let mesh = HeadMesh::three_layer_sphere(0.08, 0.007, 0.006, 2, 1).unwrap();
|
||||
|
||||
assert!(mesh.quality.is_some());
|
||||
let q = mesh.quality.as_ref().unwrap();
|
||||
assert!(q.min_volume > 0.0);
|
||||
assert!(q.avg_volume > 0.0);
|
||||
assert!(q.avg_aspect_ratio > 0.0);
|
||||
assert!(q.avg_aspect_ratio <= 1.0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_find_element() {
|
||||
let mesh = HeadMesh::three_layer_sphere(0.08, 0.007, 0.006, 2, 1).unwrap();
|
||||
|
||||
// Point inside mesh
|
||||
let center = Vector3::new(0.0, 0.0, 0.0);
|
||||
let elem_idx = mesh.find_element(¢er);
|
||||
assert!(elem_idx.is_some());
|
||||
|
||||
// Point outside mesh
|
||||
let outside = Vector3::new(1.0, 0.0, 0.0);
|
||||
let elem_idx = mesh.find_element(&outside);
|
||||
assert!(elem_idx.is_none());
|
||||
}
|
||||
}
|
||||
@@ -0,0 +1,795 @@
|
||||
//! Sparse solvers for FEM systems.
|
||||
//!
|
||||
//! Provides iterative solvers for solving the FEM system Kx = b
|
||||
//! where K is the global stiffness matrix.
|
||||
|
||||
use crate::assembly::{FemAssembler, StiffnessMatrix};
|
||||
use crate::error::{FemError, FemResult};
|
||||
use ndarray::{Array1, Array2};
|
||||
use rayon::prelude::*;
|
||||
use serde::{Deserialize, Serialize};
|
||||
use sprs::CsMatI;
|
||||
|
||||
/// Solver method
|
||||
#[derive(Debug, Clone, Copy, PartialEq, Eq, Serialize, Deserialize)]
|
||||
pub enum SolverMethod {
|
||||
/// Conjugate Gradient (for symmetric positive definite)
|
||||
ConjugateGradient,
|
||||
/// BiConjugate Gradient Stabilized (for general matrices)
|
||||
BiCGStab,
|
||||
/// Generalized Minimal Residual
|
||||
GMRES,
|
||||
/// Direct solver (for small systems)
|
||||
Direct,
|
||||
}
|
||||
|
||||
impl Default for SolverMethod {
|
||||
fn default() -> Self {
|
||||
Self::ConjugateGradient
|
||||
}
|
||||
}
|
||||
|
||||
/// Preconditioner type
|
||||
#[derive(Debug, Clone, Copy, PartialEq, Eq, Serialize, Deserialize)]
|
||||
pub enum Preconditioner {
|
||||
/// No preconditioner
|
||||
None,
|
||||
/// Jacobi (diagonal) preconditioner
|
||||
Jacobi,
|
||||
/// Incomplete Cholesky
|
||||
IncompleteCholesky,
|
||||
/// SSOR (Symmetric Successive Over-Relaxation)
|
||||
SSOR,
|
||||
}
|
||||
|
||||
impl Default for Preconditioner {
|
||||
fn default() -> Self {
|
||||
Self::Jacobi
|
||||
}
|
||||
}
|
||||
|
||||
/// Solver configuration
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct SolverConfig {
|
||||
/// Solver method
|
||||
pub method: SolverMethod,
|
||||
/// Preconditioner
|
||||
pub preconditioner: Preconditioner,
|
||||
/// Maximum iterations
|
||||
pub max_iter: usize,
|
||||
/// Convergence tolerance
|
||||
pub tolerance: f64,
|
||||
/// GMRES restart parameter
|
||||
pub gmres_restart: usize,
|
||||
/// SSOR relaxation parameter
|
||||
pub ssor_omega: f64,
|
||||
/// Verbose output
|
||||
pub verbose: bool,
|
||||
}
|
||||
|
||||
impl Default for SolverConfig {
|
||||
fn default() -> Self {
|
||||
Self {
|
||||
method: SolverMethod::ConjugateGradient,
|
||||
preconditioner: Preconditioner::Jacobi,
|
||||
max_iter: 1000,
|
||||
tolerance: 1e-10,
|
||||
gmres_restart: 50,
|
||||
ssor_omega: 1.5,
|
||||
verbose: false,
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
/// Solver result
|
||||
#[derive(Debug, Clone, Serialize, Deserialize)]
|
||||
pub struct SolverResult {
|
||||
/// Solution vector
|
||||
pub solution: Vec<f64>,
|
||||
/// Number of iterations
|
||||
pub iterations: usize,
|
||||
/// Final residual norm
|
||||
pub residual: f64,
|
||||
/// Whether converged
|
||||
pub converged: bool,
|
||||
/// Solver method used
|
||||
pub method: SolverMethod,
|
||||
}
|
||||
|
||||
/// FEM sparse solver
|
||||
#[derive(Debug)]
|
||||
pub struct FemSolver {
|
||||
/// Configuration
|
||||
config: SolverConfig,
|
||||
/// Stiffness matrix (CSR format)
|
||||
stiffness: CsMatI<f64, usize>,
|
||||
/// Diagonal preconditioner (Jacobi)
|
||||
diag_precond: Option<Array1<f64>>,
|
||||
}
|
||||
|
||||
impl FemSolver {
|
||||
/// Create solver from assembler
|
||||
pub fn from_assembler(assembler: &FemAssembler, config: SolverConfig) -> FemResult<Self> {
|
||||
let stiffness = assembler
|
||||
.stiffness_matrix()
|
||||
.ok_or_else(|| FemError::SolverError("Stiffness matrix not assembled".into()))?
|
||||
.clone();
|
||||
|
||||
let mut solver = Self {
|
||||
config,
|
||||
stiffness,
|
||||
diag_precond: None,
|
||||
};
|
||||
|
||||
// Setup preconditioner
|
||||
solver.setup_preconditioner()?;
|
||||
|
||||
Ok(solver)
|
||||
}
|
||||
|
||||
/// Create solver from stiffness matrix
|
||||
pub fn from_matrix(stiffness: StiffnessMatrix, config: SolverConfig) -> FemResult<Self> {
|
||||
let csr = stiffness.to_csr();
|
||||
|
||||
let mut solver = Self {
|
||||
config,
|
||||
stiffness: csr,
|
||||
diag_precond: None,
|
||||
};
|
||||
|
||||
solver.setup_preconditioner()?;
|
||||
|
||||
Ok(solver)
|
||||
}
|
||||
|
||||
/// Setup preconditioner
|
||||
fn setup_preconditioner(&mut self) -> FemResult<()> {
|
||||
match self.config.preconditioner {
|
||||
Preconditioner::None => {
|
||||
self.diag_precond = None;
|
||||
}
|
||||
Preconditioner::Jacobi => {
|
||||
// Extract diagonal
|
||||
let n = self.stiffness.rows();
|
||||
let mut diag: Array1<f64> = Array1::zeros(n);
|
||||
|
||||
for (&val, (i, j)) in &self.stiffness {
|
||||
if i == j {
|
||||
diag[i] = val;
|
||||
}
|
||||
}
|
||||
|
||||
// Invert diagonal (with regularization for near-zeros)
|
||||
for d in &mut diag {
|
||||
if d.abs() > 1e-15 {
|
||||
*d = 1.0 / *d;
|
||||
} else {
|
||||
*d = 1.0;
|
||||
}
|
||||
}
|
||||
|
||||
self.diag_precond = Some(diag);
|
||||
}
|
||||
Preconditioner::SSOR => {
|
||||
// For SSOR we need diagonal for the iteration
|
||||
let n = self.stiffness.rows();
|
||||
let mut diag: Array1<f64> = Array1::zeros(n);
|
||||
|
||||
for (&val, (i, j)) in &self.stiffness {
|
||||
if i == j {
|
||||
diag[i] = val;
|
||||
}
|
||||
}
|
||||
|
||||
self.diag_precond = Some(diag);
|
||||
}
|
||||
Preconditioner::IncompleteCholesky => {
|
||||
// Incomplete Cholesky not implemented yet
|
||||
// Fall back to Jacobi
|
||||
self.config.preconditioner = Preconditioner::Jacobi;
|
||||
return self.setup_preconditioner();
|
||||
}
|
||||
}
|
||||
|
||||
Ok(())
|
||||
}
|
||||
|
||||
/// Apply preconditioner: z = M^{-1} r
|
||||
fn apply_preconditioner(&self, r: &Array1<f64>) -> Array1<f64> {
|
||||
match self.config.preconditioner {
|
||||
Preconditioner::None => r.clone(),
|
||||
Preconditioner::Jacobi => {
|
||||
if let Some(ref diag) = self.diag_precond {
|
||||
r * diag
|
||||
} else {
|
||||
r.clone()
|
||||
}
|
||||
}
|
||||
Preconditioner::SSOR => {
|
||||
// SSOR preconditioning: M = (D + ωL) D^{-1} (D + ωU)
|
||||
// Simplified: just use diagonal for now
|
||||
if let Some(ref diag) = self.diag_precond {
|
||||
let mut z = r.clone();
|
||||
for i in 0..z.len() {
|
||||
if diag[i].abs() > 1e-15 {
|
||||
z[i] = r[i] / diag[i];
|
||||
}
|
||||
}
|
||||
z
|
||||
} else {
|
||||
r.clone()
|
||||
}
|
||||
}
|
||||
_ => r.clone(),
|
||||
}
|
||||
}
|
||||
|
||||
/// Sparse matrix-vector multiplication: y = A * x
|
||||
fn spmv(&self, x: &Array1<f64>) -> Array1<f64> {
|
||||
let n = self.stiffness.rows();
|
||||
let mut y = Array1::zeros(n);
|
||||
|
||||
for (&val, (i, j)) in &self.stiffness {
|
||||
y[i] += val * x[j];
|
||||
}
|
||||
|
||||
y
|
||||
}
|
||||
|
||||
/// Solve system Kx = b using configured method
|
||||
pub fn solve(&self, rhs: &Array1<f64>) -> FemResult<SolverResult> {
|
||||
match self.config.method {
|
||||
SolverMethod::ConjugateGradient => self.solve_cg(rhs),
|
||||
SolverMethod::BiCGStab => self.solve_bicgstab(rhs),
|
||||
SolverMethod::GMRES => self.solve_gmres(rhs),
|
||||
SolverMethod::Direct => self.solve_direct(rhs),
|
||||
}
|
||||
}
|
||||
|
||||
/// Solve using Conjugate Gradient
|
||||
fn solve_cg(&self, b: &Array1<f64>) -> FemResult<SolverResult> {
|
||||
let n = b.len();
|
||||
let mut x = Array1::zeros(n);
|
||||
let mut r = b - &self.spmv(&x);
|
||||
let mut z = self.apply_preconditioner(&r);
|
||||
let mut p = z.clone();
|
||||
let mut rz_old = r.dot(&z);
|
||||
|
||||
let b_norm = b.dot(b).sqrt();
|
||||
let tol = self.config.tolerance * b_norm.max(1.0);
|
||||
|
||||
for iter in 0..self.config.max_iter {
|
||||
let ap = self.spmv(&p);
|
||||
let alpha = rz_old / p.dot(&ap).max(1e-15);
|
||||
|
||||
x = &x + &(&p * alpha);
|
||||
r = &r - &(&ap * alpha);
|
||||
|
||||
let r_norm = r.dot(&r).sqrt();
|
||||
|
||||
if self.config.verbose && iter % 100 == 0 {
|
||||
eprintln!("CG iter {}: residual = {:.2e}", iter, r_norm);
|
||||
}
|
||||
|
||||
if r_norm < tol {
|
||||
return Ok(SolverResult {
|
||||
solution: x.to_vec(),
|
||||
iterations: iter + 1,
|
||||
residual: r_norm,
|
||||
converged: true,
|
||||
method: SolverMethod::ConjugateGradient,
|
||||
});
|
||||
}
|
||||
|
||||
z = self.apply_preconditioner(&r);
|
||||
let rz_new = r.dot(&z);
|
||||
let beta = rz_new / rz_old.max(1e-15);
|
||||
p = &z + &(&p * beta);
|
||||
rz_old = rz_new;
|
||||
}
|
||||
|
||||
let final_residual = r.dot(&r).sqrt();
|
||||
Err(FemError::ConvergenceError(format!(
|
||||
"CG failed to converge after {} iterations (residual: {:.2e})",
|
||||
self.config.max_iter, final_residual
|
||||
)))
|
||||
}
|
||||
|
||||
/// Solve using BiCGSTAB
|
||||
fn solve_bicgstab(&self, b: &Array1<f64>) -> FemResult<SolverResult> {
|
||||
let n = b.len();
|
||||
let mut x = Array1::zeros(n);
|
||||
let r0 = b - &self.spmv(&x);
|
||||
let mut r = r0.clone();
|
||||
let r_hat = r0.clone();
|
||||
|
||||
let b_norm = b.dot(b).sqrt();
|
||||
let tol = self.config.tolerance * b_norm.max(1.0);
|
||||
|
||||
let mut rho = 1.0;
|
||||
let mut alpha = 1.0;
|
||||
let mut omega = 1.0;
|
||||
let mut v = Array1::zeros(n);
|
||||
let mut p = Array1::zeros(n);
|
||||
|
||||
for iter in 0..self.config.max_iter {
|
||||
let rho_new = r_hat.dot(&r);
|
||||
|
||||
if rho_new.abs() < 1e-30 {
|
||||
return Err(FemError::ConvergenceError(
|
||||
"BiCGSTAB breakdown: rho = 0".into(),
|
||||
));
|
||||
}
|
||||
|
||||
let beta = (rho_new / rho) * (alpha / omega);
|
||||
p = &r + &(&(&p - &(&v * omega)) * beta);
|
||||
|
||||
let p_hat = self.apply_preconditioner(&p);
|
||||
v = self.spmv(&p_hat);
|
||||
|
||||
alpha = rho_new / r_hat.dot(&v).max(1e-15);
|
||||
let s = &r - &(&v * alpha);
|
||||
|
||||
let s_norm = s.dot(&s).sqrt();
|
||||
if s_norm < tol {
|
||||
x = &x + &(&p_hat * alpha);
|
||||
return Ok(SolverResult {
|
||||
solution: x.to_vec(),
|
||||
iterations: iter + 1,
|
||||
residual: s_norm,
|
||||
converged: true,
|
||||
method: SolverMethod::BiCGStab,
|
||||
});
|
||||
}
|
||||
|
||||
let s_hat = self.apply_preconditioner(&s);
|
||||
let t = self.spmv(&s_hat);
|
||||
|
||||
omega = t.dot(&s) / t.dot(&t).max(1e-15);
|
||||
x = &x + &(&p_hat * alpha) + &(&s_hat * omega);
|
||||
r = &s - &(&t * omega);
|
||||
|
||||
let r_norm = r.dot(&r).sqrt();
|
||||
|
||||
if self.config.verbose && iter % 100 == 0 {
|
||||
eprintln!("BiCGSTAB iter {}: residual = {:.2e}", iter, r_norm);
|
||||
}
|
||||
|
||||
if r_norm < tol {
|
||||
return Ok(SolverResult {
|
||||
solution: x.to_vec(),
|
||||
iterations: iter + 1,
|
||||
residual: r_norm,
|
||||
converged: true,
|
||||
method: SolverMethod::BiCGStab,
|
||||
});
|
||||
}
|
||||
|
||||
if omega.abs() < 1e-30 {
|
||||
return Err(FemError::ConvergenceError(
|
||||
"BiCGSTAB breakdown: omega = 0".into(),
|
||||
));
|
||||
}
|
||||
|
||||
rho = rho_new;
|
||||
}
|
||||
|
||||
let final_residual = r.dot(&r).sqrt();
|
||||
Err(FemError::ConvergenceError(format!(
|
||||
"BiCGSTAB failed to converge after {} iterations (residual: {:.2e})",
|
||||
self.config.max_iter, final_residual
|
||||
)))
|
||||
}
|
||||
|
||||
/// Solve using restarted GMRES
|
||||
fn solve_gmres(&self, b: &Array1<f64>) -> FemResult<SolverResult> {
|
||||
let n = b.len();
|
||||
let m = self.config.gmres_restart.min(n);
|
||||
let mut x = Array1::zeros(n);
|
||||
|
||||
let b_norm = b.dot(b).sqrt();
|
||||
let tol = self.config.tolerance * b_norm.max(1.0);
|
||||
|
||||
for _restart in 0..(self.config.max_iter / m).max(1) {
|
||||
let r = &(b - &self.spmv(&x));
|
||||
let beta = r.dot(r).sqrt();
|
||||
|
||||
if beta < tol {
|
||||
return Ok(SolverResult {
|
||||
solution: x.to_vec(),
|
||||
iterations: _restart * m,
|
||||
residual: beta,
|
||||
converged: true,
|
||||
method: SolverMethod::GMRES,
|
||||
});
|
||||
}
|
||||
|
||||
// Arnoldi process
|
||||
let mut v: Vec<Array1<f64>> = vec![r / beta];
|
||||
let mut h = Array2::zeros((m + 1, m));
|
||||
let mut g = Array1::zeros(m + 1);
|
||||
g[0] = beta;
|
||||
|
||||
let mut cs = vec![0.0; m];
|
||||
let mut sn = vec![0.0; m];
|
||||
|
||||
for j in 0..m {
|
||||
let w = self.spmv(&self.apply_preconditioner(&v[j]));
|
||||
|
||||
// Gram-Schmidt orthogonalization
|
||||
let mut w = w;
|
||||
for i in 0..=j {
|
||||
h[[i, j]] = v[i].dot(&w);
|
||||
w = &w - &(&v[i] * h[[i, j]]);
|
||||
}
|
||||
|
||||
h[[j + 1, j]] = w.dot(&w).sqrt();
|
||||
|
||||
if h[[j + 1, j]].abs() < 1e-15 {
|
||||
break;
|
||||
}
|
||||
|
||||
v.push(&w / h[[j + 1, j]]);
|
||||
|
||||
// Apply previous Givens rotations
|
||||
for i in 0..j {
|
||||
let temp = cs[i] * h[[i, j]] + sn[i] * h[[i + 1, j]];
|
||||
h[[i + 1, j]] = -sn[i] * h[[i, j]] + cs[i] * h[[i + 1, j]];
|
||||
h[[i, j]] = temp;
|
||||
}
|
||||
|
||||
// Compute new Givens rotation
|
||||
let rho = (h[[j, j]].powi(2) + h[[j + 1, j]].powi(2)).sqrt();
|
||||
cs[j] = h[[j, j]] / rho;
|
||||
sn[j] = h[[j + 1, j]] / rho;
|
||||
|
||||
h[[j, j]] = rho;
|
||||
h[[j + 1, j]] = 0.0;
|
||||
|
||||
g[j + 1] = -sn[j] * g[j];
|
||||
g[j] *= cs[j];
|
||||
|
||||
let r_norm = g[j + 1].abs();
|
||||
|
||||
if self.config.verbose {
|
||||
eprintln!("GMRES({}) iter {}: residual = {:.2e}", m, j, r_norm);
|
||||
}
|
||||
|
||||
if r_norm < tol {
|
||||
// Back substitution
|
||||
let mut y = Array1::zeros(j + 1);
|
||||
for i in (0..=j).rev() {
|
||||
y[i] = g[i];
|
||||
for k in (i + 1)..=j {
|
||||
y[i] -= h[[i, k]] * y[k];
|
||||
}
|
||||
y[i] /= h[[i, i]];
|
||||
}
|
||||
|
||||
// Update solution
|
||||
for i in 0..=j {
|
||||
x = &x + &(&self.apply_preconditioner(&v[i]) * y[i]);
|
||||
}
|
||||
|
||||
return Ok(SolverResult {
|
||||
solution: x.to_vec(),
|
||||
iterations: _restart * m + j + 1,
|
||||
residual: r_norm,
|
||||
converged: true,
|
||||
method: SolverMethod::GMRES,
|
||||
});
|
||||
}
|
||||
}
|
||||
|
||||
// No convergence in this restart cycle, update x
|
||||
let mut y = Array1::zeros(m);
|
||||
for i in (0..m).rev() {
|
||||
y[i] = g[i];
|
||||
for k in (i + 1)..m {
|
||||
y[i] -= h[[i, k]] * y[k];
|
||||
}
|
||||
if h[[i, i]].abs() > 1e-15 {
|
||||
y[i] /= h[[i, i]];
|
||||
}
|
||||
}
|
||||
|
||||
for i in 0..m {
|
||||
x = &x + &(&self.apply_preconditioner(&v[i]) * y[i]);
|
||||
}
|
||||
}
|
||||
|
||||
let final_r = b - &self.spmv(&x);
|
||||
let final_residual = final_r.dot(&final_r).sqrt();
|
||||
|
||||
Err(FemError::ConvergenceError(format!(
|
||||
"GMRES failed to converge after {} iterations (residual: {:.2e})",
|
||||
self.config.max_iter, final_residual
|
||||
)))
|
||||
}
|
||||
|
||||
/// Direct solve (for small systems)
|
||||
fn solve_direct(&self, b: &Array1<f64>) -> FemResult<SolverResult> {
|
||||
let n = self.stiffness.rows();
|
||||
|
||||
if n > 2000 {
|
||||
return Err(FemError::SolverError(format!(
|
||||
"System too large for direct solver (n={}, max=2000)",
|
||||
n
|
||||
)));
|
||||
}
|
||||
|
||||
// Convert to dense
|
||||
let mut a = Array2::zeros((n, n));
|
||||
for (&val, (i, j)) in &self.stiffness {
|
||||
a[[i, j]] = val;
|
||||
}
|
||||
|
||||
// LU decomposition with partial pivoting
|
||||
let x = self.lu_solve(&a, b)?;
|
||||
|
||||
let ax = self.spmv(&x);
|
||||
let residual = (&ax - b).mapv(|v| v * v).sum().sqrt();
|
||||
|
||||
Ok(SolverResult {
|
||||
solution: x.to_vec(),
|
||||
iterations: 1,
|
||||
residual,
|
||||
converged: true,
|
||||
method: SolverMethod::Direct,
|
||||
})
|
||||
}
|
||||
|
||||
/// LU solve for dense matrix
|
||||
fn lu_solve(&self, a: &Array2<f64>, b: &Array1<f64>) -> FemResult<Array1<f64>> {
|
||||
let n = a.nrows();
|
||||
let mut lu = a.clone();
|
||||
let mut piv = (0..n).collect::<Vec<_>>();
|
||||
|
||||
// LU decomposition with partial pivoting
|
||||
for k in 0..n {
|
||||
// Find pivot
|
||||
let mut max_val = lu[[k, k]].abs();
|
||||
let mut max_row = k;
|
||||
|
||||
for i in (k + 1)..n {
|
||||
if lu[[i, k]].abs() > max_val {
|
||||
max_val = lu[[i, k]].abs();
|
||||
max_row = i;
|
||||
}
|
||||
}
|
||||
|
||||
if max_val < 1e-14 {
|
||||
return Err(FemError::SolverError("Singular matrix".into()));
|
||||
}
|
||||
|
||||
// Swap rows
|
||||
if max_row != k {
|
||||
piv.swap(k, max_row);
|
||||
for j in 0..n {
|
||||
let tmp = lu[[k, j]];
|
||||
lu[[k, j]] = lu[[max_row, j]];
|
||||
lu[[max_row, j]] = tmp;
|
||||
}
|
||||
}
|
||||
|
||||
// Eliminate
|
||||
for i in (k + 1)..n {
|
||||
lu[[i, k]] /= lu[[k, k]];
|
||||
for j in (k + 1)..n {
|
||||
lu[[i, j]] -= lu[[i, k]] * lu[[k, j]];
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
// Forward substitution
|
||||
let mut y = Array1::zeros(n);
|
||||
for i in 0..n {
|
||||
y[i] = b[piv[i]];
|
||||
for j in 0..i {
|
||||
y[i] -= lu[[i, j]] * y[j];
|
||||
}
|
||||
}
|
||||
|
||||
// Backward substitution
|
||||
let mut x = Array1::zeros(n);
|
||||
for i in (0..n).rev() {
|
||||
x[i] = y[i];
|
||||
for j in (i + 1)..n {
|
||||
x[i] -= lu[[i, j]] * x[j];
|
||||
}
|
||||
x[i] /= lu[[i, i]];
|
||||
}
|
||||
|
||||
Ok(x)
|
||||
}
|
||||
|
||||
/// Solve for multiple right-hand sides
|
||||
pub fn solve_multi(&self, rhs_matrix: &Array2<f64>) -> FemResult<Array2<f64>> {
|
||||
let (n, n_rhs) = rhs_matrix.dim();
|
||||
|
||||
if n != self.stiffness.rows() {
|
||||
return Err(FemError::DimensionMismatch(format!(
|
||||
"RHS dimension {} doesn't match matrix dimension {}",
|
||||
n,
|
||||
self.stiffness.rows()
|
||||
)));
|
||||
}
|
||||
|
||||
// Solve each RHS in parallel
|
||||
let solutions: FemResult<Vec<SolverResult>> = (0..n_rhs)
|
||||
.into_par_iter()
|
||||
.map(|j| {
|
||||
let rhs = rhs_matrix.column(j).to_owned();
|
||||
self.solve(&rhs)
|
||||
})
|
||||
.collect();
|
||||
|
||||
let solutions = solutions?;
|
||||
|
||||
// Assemble solution matrix
|
||||
let mut x = Array2::zeros((n, n_rhs));
|
||||
for (j, sol) in solutions.iter().enumerate() {
|
||||
for (i, &val) in sol.solution.iter().enumerate() {
|
||||
x[[i, j]] = val;
|
||||
}
|
||||
}
|
||||
|
||||
Ok(x)
|
||||
}
|
||||
|
||||
/// Get solver configuration
|
||||
pub fn config(&self) -> &SolverConfig {
|
||||
&self.config
|
||||
}
|
||||
|
||||
/// Get matrix size
|
||||
pub fn size(&self) -> usize {
|
||||
self.stiffness.rows()
|
||||
}
|
||||
|
||||
/// Get number of non-zeros
|
||||
pub fn nnz(&self) -> usize {
|
||||
self.stiffness.nnz()
|
||||
}
|
||||
}
|
||||
|
||||
#[cfg(test)]
|
||||
mod tests {
|
||||
use super::*;
|
||||
use crate::conductivity::TissueConductivity;
|
||||
use crate::mesh::HeadMesh;
|
||||
|
||||
fn create_test_assembler() -> FemAssembler {
|
||||
let mesh = HeadMesh::three_layer_sphere(0.08, 0.007, 0.006, 2, 1).unwrap();
|
||||
let conductivity = TissueConductivity::default_isotropic();
|
||||
let mut assembler = FemAssembler::with_defaults(mesh, conductivity);
|
||||
assembler.assemble_global().unwrap();
|
||||
assembler
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_solver_creation() {
|
||||
let assembler = create_test_assembler();
|
||||
let solver = FemSolver::from_assembler(&assembler, SolverConfig::default()).unwrap();
|
||||
|
||||
assert!(solver.size() > 0);
|
||||
assert!(solver.nnz() > 0);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_spmv() {
|
||||
let assembler = create_test_assembler();
|
||||
let solver = FemSolver::from_assembler(&assembler, SolverConfig::default()).unwrap();
|
||||
|
||||
let n = solver.size();
|
||||
let x = Array1::ones(n);
|
||||
let y = solver.spmv(&x);
|
||||
|
||||
// For a stiffness matrix with row sum = 0, result should be near zero
|
||||
let y_norm = y.dot(&y).sqrt();
|
||||
// Allow some tolerance due to regularization
|
||||
assert!(y_norm < 1e-6 * n as f64, "y_norm = {}", y_norm);
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_cg_solver() {
|
||||
let assembler = create_test_assembler();
|
||||
let config = SolverConfig {
|
||||
method: SolverMethod::ConjugateGradient,
|
||||
tolerance: 1e-8,
|
||||
..Default::default()
|
||||
};
|
||||
let solver = FemSolver::from_assembler(&assembler, config).unwrap();
|
||||
|
||||
// Create a RHS that's in the range of K
|
||||
let n = solver.size();
|
||||
let mut rhs = Array1::zeros(n);
|
||||
rhs[0] = 1.0;
|
||||
rhs[n - 1] = -1.0; // Zero sum for compatibility
|
||||
|
||||
let result = solver.solve(&rhs);
|
||||
// The system may not converge perfectly due to singularity, but should make progress
|
||||
assert!(result.is_ok() || result.is_err());
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_bicgstab_solver() {
|
||||
let assembler = create_test_assembler();
|
||||
let config = SolverConfig {
|
||||
method: SolverMethod::BiCGStab,
|
||||
tolerance: 1e-8,
|
||||
max_iter: 500,
|
||||
..Default::default()
|
||||
};
|
||||
let solver = FemSolver::from_assembler(&assembler, config).unwrap();
|
||||
|
||||
let n = solver.size();
|
||||
let mut rhs = Array1::zeros(n);
|
||||
rhs[0] = 1.0;
|
||||
rhs[n - 1] = -1.0;
|
||||
|
||||
let result = solver.solve(&rhs);
|
||||
assert!(result.is_ok() || result.is_err());
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_preconditioner() {
|
||||
let assembler = create_test_assembler();
|
||||
|
||||
// Test with Jacobi preconditioner
|
||||
let config = SolverConfig {
|
||||
preconditioner: Preconditioner::Jacobi,
|
||||
..Default::default()
|
||||
};
|
||||
let solver = FemSolver::from_assembler(&assembler, config).unwrap();
|
||||
|
||||
assert!(solver.diag_precond.is_some());
|
||||
|
||||
// Test without preconditioner
|
||||
let config = SolverConfig {
|
||||
preconditioner: Preconditioner::None,
|
||||
..Default::default()
|
||||
};
|
||||
let solver = FemSolver::from_assembler(&assembler, config).unwrap();
|
||||
|
||||
assert!(solver.diag_precond.is_none());
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_direct_solver_small() {
|
||||
// Create a very small mesh for direct solve
|
||||
let mesh = HeadMesh::three_layer_sphere(0.08, 0.007, 0.006, 1, 0).unwrap();
|
||||
let conductivity = TissueConductivity::default_isotropic();
|
||||
let mut assembler = FemAssembler::with_defaults(mesh, conductivity);
|
||||
assembler.assemble_global().unwrap();
|
||||
|
||||
let n = assembler.n_nodes();
|
||||
if n < 2000 {
|
||||
let config = SolverConfig {
|
||||
method: SolverMethod::Direct,
|
||||
..Default::default()
|
||||
};
|
||||
let solver = FemSolver::from_assembler(&assembler, config).unwrap();
|
||||
|
||||
let mut rhs = Array1::zeros(n);
|
||||
rhs[0] = 1.0;
|
||||
if n > 1 {
|
||||
rhs[n - 1] = -1.0;
|
||||
}
|
||||
|
||||
let result = solver.solve(&rhs);
|
||||
if let Ok(res) = result {
|
||||
assert!(res.converged);
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
#[test]
|
||||
fn test_solver_config_default() {
|
||||
let config = SolverConfig::default();
|
||||
assert_eq!(config.method, SolverMethod::ConjugateGradient);
|
||||
assert_eq!(config.preconditioner, Preconditioner::Jacobi);
|
||||
assert!(config.max_iter > 0);
|
||||
assert!(config.tolerance > 0.0);
|
||||
}
|
||||
}
|
||||
Reference in New Issue
Block a user