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Cleanup and refactoring of library.
- Update doxygen compatible comments for all public methods of BTCSDiffusion - Remove commented code lines as we do noit need them anymore. - Added comments at key points at source file of BTCSDiffusion. - Refactor main.cpp to new function signature of =setBoundaryCondtion=
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@ -67,28 +67,6 @@ void BTCSDiffusion::updateInternals() {
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bc.resize(cells, {BTCSDiffusion::BC_CLOSED, 0});
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}
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// BTCSDiffusion::BTCSDiffusion(int x) : n_x(x) {
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// this->grid_dim = 1;
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// this->dx = 1. / (x - 1);
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// // per default use Neumann condition with gradient of 0 at the end of the
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// grid this->bc.resize(2, std::tuple<bctype,
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// double>(BTCSDiffusion::BC_CONSTANT, 0.));
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// }
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// BTCSDiffusion::BTCSDiffusion(int x, int y) : n_x(x), n_y(y) {
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// // this->grid_dim = 2;
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// // this->bc.reserve(x * 2 + y * 2);
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// // // per default use Neumann condition with gradient of 0 at the end of
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// the
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// // grid std::fill(this->bc.begin(), this->bc.end(), -1);
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// }
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// BTCSDiffusion::BTCSDiffusion(int x, int y, int z) : n_x(x), n_y(y), n_z(z) {
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// // this->grid_dim = 3;
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// // TODO: reserve memory for boundary conditions
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// }
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void BTCSDiffusion::simulate1D(std::vector<double> &c, boundary_condition left,
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boundary_condition right,
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@ -97,11 +75,11 @@ void BTCSDiffusion::simulate1D(std::vector<double> &c, boundary_condition left,
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bool left_is_constant = (left.type == BTCSDiffusion::BC_CONSTANT);
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bool right_is_constant = (right.type == BTCSDiffusion::BC_CONSTANT);
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int loop_end = size + !right_is_constant;
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// we need 2 more grid cells for ghost cells
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// size = size + 2;
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//The sizes for matrix and vectors of the equation system is defined by the
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//actual size of the input vector and if the system is (partially) closed.
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//Then we will need ghost nodes. So this variable will give the count of ghost
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//nodes.
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int bc_offset = !left_is_constant + !right_is_constant;
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;
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@ -113,11 +91,10 @@ void BTCSDiffusion::simulate1D(std::vector<double> &c, boundary_condition left,
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* Begin to solve the equation system using LU solver of Eigen.
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*
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* But first fill the A matrix and b vector.
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*
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* At this point there is some debugging output in the code.
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* TODO: remove output
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*/
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// Set boundary condition for ghost nodes (for closed or flux system) or outer
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// inlet nodes (constant boundary condition)
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A_matrix.resize(size + bc_offset, size + bc_offset);
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A_matrix.reserve(Eigen::VectorXi::Constant(size + bc_offset, 3));
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@ -130,11 +107,13 @@ void BTCSDiffusion::simulate1D(std::vector<double> &c, boundary_condition left,
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(right_is_constant ? right.value
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: getBCFromFlux(right, c[size - 1], alpha[size - 1]));
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// A_matrix.insert(0, 0) = 1;
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// A_matrix.insert(size + 1, size + 1) = 1;
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// Start filling the A matrix
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// =i= is used for equation system matrix and vector indexing
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// and =j= for indexing of c,alpha and bc
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for (int i = 1, j = i + !(left_is_constant); i < size - right_is_constant;
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i++, j++) {
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// if current grid cell is considered as constant boundary conditon
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if (bc[j].type == BTCSDiffusion::BC_CONSTANT) {
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A_matrix.insert(i, i) = 1;
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b_vector[i] = bc[j].value;
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@ -150,6 +129,7 @@ void BTCSDiffusion::simulate1D(std::vector<double> &c, boundary_condition left,
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b_vector[i] = -c[j];
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}
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// start to solve
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Eigen::SparseLU<Eigen::SparseMatrix<double>, Eigen::COLAMDOrdering<int>>
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solver;
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solver.analyzePattern(A_matrix);
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@ -158,7 +138,8 @@ void BTCSDiffusion::simulate1D(std::vector<double> &c, boundary_condition left,
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x_vector = solver.solve(b_vector);
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for (int i = 0; i < c.size(); i++) {
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//fill solution back in place into =c= vector
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for (int i = 0, j = i + !left_is_constant; i < c.size(); i++, j++) {
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c[i] = x_vector[i + !left_is_constant];
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}
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}
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@ -170,10 +151,6 @@ void BTCSDiffusion::setTimestep(double time_step) {
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void BTCSDiffusion::simulate(std::vector<double> &c,
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const std::vector<double> &alpha) {
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if (this->grid_dim == 1) {
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// double bc_left = getBCFromTuple(0, c[0], alpha[0]);
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// double bc_right =
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// getBCFromTuple(1, c[c.size() - 1], alpha[alpha.size() - 1]);
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simulate1D(c, bc[0], bc[grid_cells[0] + 1], alpha, this->deltas[0],
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this->grid_cells[0]);
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}
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@ -197,11 +174,8 @@ inline double BTCSDiffusion::getBCFromFlux(boundary_condition bc,
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return val;
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}
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void BTCSDiffusion::setBoundaryCondition(int index, double val, bctype type) {
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void BTCSDiffusion::setBoundaryCondition(int index, bctype type, double value) {
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bc[index].type = type;
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bc[index].value = val;
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// std::get<0>(bc[index]) = type;
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// std::get<1>(bc[index]) = val;
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bc[index].value = value;
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}
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@ -34,76 +34,76 @@ public:
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static const int BC_FLUX;
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/*!
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* A boundary condition consists of two features. A type and the according
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* value. Here we can differentiate between:
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* Creates a diffusion module.
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*
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* - Neumann boundary conditon: type BC_NEUMANN with the value defining the
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* gradient
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* - Dirichlet boundary condition: type BC_DIRICHLET with the actual value of
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* the boundary condition
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*/
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typedef struct boundary_condition {
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bctype type;
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double value;
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} boundary_condition;
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/*!
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* A boundary condition consists of two features. A type and the according
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* value. Here we can differentiate between:
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*
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* - Neumann boundary conditon: type BC_NEUMANN with the value defining the
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* gradient
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* - Dirichlet boundary condition: type BC_DIRICHLET with the actual value of
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* the boundary condition
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*/
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// typedef std::vector<std::tuple<bctype, double>> boundary_condition;
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/*!
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* Datatype to fill the sparse matrix which is used to solve the equation
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* system.
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*/
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typedef Eigen::Triplet<double> T;
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/*!
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* Create 1D-diffusion module.
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*
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* @param x Count of cells in x direction.
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* @param dim Number of dimensions. Should not be greater than 3 and not less
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* than 1.
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*/
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BTCSDiffusion(unsigned int dim);
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/*!
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* Define the grid in x direction.
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*
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* @param domain_size Size of the domain in x direction.
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* @param n_grid_cells Number of grid cells in x direction the domain is
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* divided to.
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*/
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void setXDimensions(unsigned int domain_size, unsigned int n_grid_cells);
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/*!
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* Define the grid in y direction.
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*
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* Throws an error if the module wasn't initialized at least as a 2D model.
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*
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* @param domain_size Size of the domain in y direction.
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* @param n_grid_cells Number of grid cells in y direction the domain is
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* divided to.
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*/
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void setYDimensions(unsigned int domain_size, unsigned int n_grid_cells);
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/*!
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* Define the grid in z direction.
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*
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* Throws an error if the module wasn't initialized at least as a 3D model.
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*
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* @param domain_size Size of the domain in z direction.
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* @param n_grid_cells Number of grid cells in z direction the domain is
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* divided to.
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*/
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void setZDimensions(unsigned int domain_size, unsigned int n_grid_cells);
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/*!
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* Returns the number of grid cells in x direction.
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*/
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unsigned int getXGridCellsN();
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/*!
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* Returns the number of grid cells in y direction.
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*/
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unsigned int getYGridCellsN();
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/*!
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* Returns the number of grid cells in z direction.
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*/
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unsigned int getZGridCellsN();
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unsigned int getXDomainSize();
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unsigned int getYDomainSize();
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unsigned int getZDomainSize();
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// /*!
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// * Currently not implemented: Create 2D-diffusion module.
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// *
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// * @param x Count of cells in x direction.
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// * @param y Count of cells in y direction.
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// */
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// explicit BTCSDiffusion(int x, int y);
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// /*!
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// * Currently not implemented: Create 3D-diffusion module.
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// *
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// * @param x Count of cells in x direction.
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// * @param y Count of cells in y direction.
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// * @param z Count of cells in z direction.
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// */
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// explicit BTCSDiffusion(int x, int y, int z);
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/*!
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* Returns the domain size in x direction.
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*/
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unsigned int getXDomainSize();
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/*!
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* Returns the domain size in y direction.
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*/
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unsigned int getYDomainSize();
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/*!
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* Returns the domain size in z direction.
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*/
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unsigned int getZDomainSize();
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/*!
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* With given ghost zones simulate diffusion. Only 1D allowed at this moment.
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*
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* @param c Vector describing the concentration of one solution of the grid as
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* continious memory (Row-wise).
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* @param alpha Vector of diffusioncoefficients for each grid element.
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* continious memory (row major).
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* @param alpha Vector of diffusion coefficients for each grid element.
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*/
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void simulate(std::vector<double> &c, const std::vector<double> &alpha);
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@ -119,23 +119,29 @@ public:
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* index (exact order still to be determined), the type of the boundary
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* condition and the according value.
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*
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* @param index Index of the boundary condition vector.
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* @param val Value of the boundary condition (gradient for Neumann, exact
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* value for Dirichlet).
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* @param Type of the grid cell.
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* @param index Index of the grid cell the boundary condition is applied to.
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* @param type Type of the boundary condition. Must be constant, closed or
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* flux.
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* @param value For constant boundary conditions this value is set
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* during solving. For flux value refers to a gradient of change for this grid
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* cell. For closed this value has no effect since a gradient of 0 is used.
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*/
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void setBoundaryCondition(int index, double val, bctype type);
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void setBoundaryCondition(int index, bctype type, double value);
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private:
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typedef struct boundary_condition {
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bctype type;
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double value;
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} boundary_condition;
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typedef Eigen::Triplet<double> T;
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void simulate1D(std::vector<double> &c, boundary_condition left,
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boundary_condition right, const std::vector<double> &alpha,
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double dx, int size);
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void simulate2D(std::vector<double> &c);
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void simulate3D(std::vector<double> &c);
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inline double getBCFromFlux(boundary_condition bc, double nearest_value,
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double neighbor_alpha);
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void updateInternals();
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std::vector<boundary_condition> bc;
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@ -145,8 +151,8 @@ private:
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Eigen::VectorXd x_vector;
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double time_step;
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int grid_dim;
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std::vector<unsigned int> grid_cells;
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std::vector<unsigned int> domain_size;
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std::vector<double> deltas;
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11
src/main.cpp
11
src/main.cpp
@ -1,9 +1,8 @@
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#include "BTCSDiffusion.hpp" // for BTCSDiffusion, BTCSDiffusion::BC_DIRICHLET
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#include <Eigen/src/Core/arch/SSE/PacketMath.h>
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#include <algorithm> // for copy, max
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#include <algorithm> // for copy, max
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#include <iomanip>
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#include <iostream> // for std
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#include <vector> // for vector
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#include <iostream> // for std
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#include <vector> // for vector
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using namespace std;
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int main(int argc, char *argv[]) {
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@ -23,8 +22,8 @@ int main(int argc, char *argv[]) {
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diffu.setXDimensions(1, n);
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// set the boundary condition for the left ghost cell to dirichlet
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diffu.setBoundaryCondition(0, 5. * std::pow(10, -6),
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BTCSDiffusion::BC_CONSTANT);
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diffu.setBoundaryCondition(0, BTCSDiffusion::BC_CONSTANT,
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5. * std::pow(10, -6));
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// set timestep for simulation to 1 second
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diffu.setTimestep(1.);
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