Julia

Julia#

This section documents the Julia implementation of the MOLE toolkit, MOLE.jl.

The API documentation is generated automatically from the docstrings in the Julia source files located in mole/julia/MOLE.jl/src.

The published MOLE.jl documentation can be found on the MOLE.jl Documentation website.

The following diagram shows the key modules and functions in the MOLE.jl API and their relationships:

digraph mole_jl_api_structure { bgcolor="transparent"; rankdir=TB; // Top to Bottom layout compound=true; node [shape=box, style=filled, fontname="Arial", fontsize=10, margin="0.3,0.1"]; edge [fontname="Arial", fontsize=9]; // Color definitions node [fillcolor="#E8F4F9"]; // Light blue for base nodes // Core package subgraph cluster_base { label="Core Package"; style=filled; color="#F5F5F5"; MOLE [label="MOLE.jl\n(Package)"]; } // Core modules subgraph cluster_modules { label="Core Modules"; style=filled; color="#F5F5F5"; node [fillcolor="#E8F4F9"]; Operators [label="Operators"]; BCs [label="BCs"]; } // Operators subgraph cluster_operators { label="Core Operators"; style=filled; color="#F5F5F5"; node [fillcolor="#D5E8D4"]; // Light green for operators Interpol [label="interpol\n(Interpolation)"]; Gradient [label="grad\n(Gradient)"]; Divergence [label="div\n(Divergence)"]; Laplacian [label="lap\n(Laplacian)"]; } // Boundary Conditions subgraph cluster_bc { label="Boundary Conditions"; style=filled; color="#F5F5F5"; node [fillcolor="#FFE6CC"]; // Light orange for boundary conditions RobinBC [label="robinBC\n(Robin/Neumann/Dirichlet)"]; ScalarBC1D [label="ScalarBC1D"]; ScalarBC2D [label="ScalarBC2D"]; AddScalarBC [label="addScalarBC!\n(Apply Scalar BCs)"]; } // Grid Variants subgraph cluster_grids { label="Grid and Dimension Variants"; style=filled; color="#F5F5F5"; node [fillcolor="#DAE8FC"]; // Light blue for utilities OneD [label="1D Operators"]; TwoD [label="2D Operators"]; Uniform [label="Uniform Grids"]; NonUniform [label="Non-uniform Grids"]; } // Module relationships edge [color="#0000AA", penwidth=1.5]; MOLE -> {Operators BCs}; // API ownership relationships edge [color="#0000AA", penwidth=1.5]; Operators -> {Interpol Gradient Divergence Laplacian}; BCs -> {RobinBC ScalarBC1D ScalarBC2D AddScalarBC}; // Usage relationships edge [style=dashed, dir=forward, color="#006600", penwidth=1.0]; Gradient -> Laplacian; Divergence -> Laplacian; // Grid and dimension relationships edge [style=dotted, dir=forward, color="#990000", penwidth=1.0]; OneD -> {Interpol Gradient Divergence Laplacian RobinBC ScalarBC1D AddScalarBC}; TwoD -> {Gradient Divergence Laplacian RobinBC ScalarBC2D AddScalarBC}; Uniform -> {Interpol Gradient Divergence Laplacian}; NonUniform -> {Gradient Divergence}; // Boundary condition relationships edge [style=dashed, constraint=false, color="#AA6600", penwidth=1.0]; RobinBC -> {Gradient Divergence Laplacian}; ScalarBC1D -> AddScalarBC; ScalarBC2D -> AddScalarBC; AddScalarBC -> {Gradient Divergence Laplacian}; // Add a legend subgraph cluster_legend { label="Legend"; style=filled; color="#F5F5F5"; fontsize=10; node [shape=none, style=none, label=""]; edge [style=none]; leg_title [label="Relationship Types:", shape=none, fontsize=9]; leg_module [label="Module/API Ownership", shape=none, fontsize=9]; leg_usage [label="Operator Usage", shape=none, fontsize=9]; leg_grid [label="Grid/Dimension Support", shape=none, fontsize=9]; leg_boundary [label="Boundary Modification", shape=none, fontsize=9]; leg_title -> leg_module [style=solid, color="#0000AA", penwidth=1.5]; leg_title -> leg_usage [style=dashed, color="#006600", penwidth=1.0]; leg_title -> leg_grid [style=dotted, color="#990000", penwidth=1.0]; leg_title -> leg_boundary [style=dashed, color="#AA6600", penwidth=1.0]; } }