|
| 1 | +# Julia |
| 2 | + |
| 3 | +This section documents the Julia implementation of the MOLE toolkit, MOLE.jl. |
| 4 | + |
| 5 | +The API documentation is generated automatically from the docstrings in the Julia source files located in `mole/julia/MOLE.jl/src`. |
| 6 | + |
| 7 | +The published MOLE.jl documentation can be found on the [MOLE.jl Documentation website](https://www.mole-ose.org/MOLE.jl-docs/dev/). |
| 8 | + |
| 9 | +```{eval-rst} |
| 10 | +.. only:: html |
| 11 | +
|
| 12 | + The following diagram shows the key modules and functions in the MOLE.jl API and their relationships: |
| 13 | +
|
| 14 | + .. graphviz:: |
| 15 | +
|
| 16 | + digraph mole_jl_api_structure { |
| 17 | + bgcolor="transparent"; |
| 18 | + rankdir=TB; // Top to Bottom layout |
| 19 | + compound=true; |
| 20 | + node [shape=box, style=filled, fontname="Arial", fontsize=10, margin="0.3,0.1"]; |
| 21 | + edge [fontname="Arial", fontsize=9]; |
| 22 | +
|
| 23 | + // Color definitions |
| 24 | + node [fillcolor="#E8F4F9"]; // Light blue for base nodes |
| 25 | +
|
| 26 | + // Core package |
| 27 | + subgraph cluster_base { |
| 28 | + label="Core Package"; |
| 29 | + style=filled; |
| 30 | + color="#F5F5F5"; |
| 31 | +
|
| 32 | + MOLE [label="MOLE.jl\n(Package)"]; |
| 33 | + } |
| 34 | +
|
| 35 | + // Core modules |
| 36 | + subgraph cluster_modules { |
| 37 | + label="Core Modules"; |
| 38 | + style=filled; |
| 39 | + color="#F5F5F5"; |
| 40 | + node [fillcolor="#E8F4F9"]; |
| 41 | +
|
| 42 | + Operators [label="Operators"]; |
| 43 | + BCs [label="BCs"]; |
| 44 | + } |
| 45 | +
|
| 46 | + // Operators |
| 47 | + subgraph cluster_operators { |
| 48 | + label="Core Operators"; |
| 49 | + style=filled; |
| 50 | + color="#F5F5F5"; |
| 51 | + node [fillcolor="#D5E8D4"]; // Light green for operators |
| 52 | +
|
| 53 | + Interpol [label="interpol\n(Interpolation)"]; |
| 54 | + Gradient [label="grad\n(Gradient)"]; |
| 55 | + Divergence [label="div\n(Divergence)"]; |
| 56 | + Laplacian [label="lap\n(Laplacian)"]; |
| 57 | + } |
| 58 | +
|
| 59 | + // Boundary Conditions |
| 60 | + subgraph cluster_bc { |
| 61 | + label="Boundary Conditions"; |
| 62 | + style=filled; |
| 63 | + color="#F5F5F5"; |
| 64 | + node [fillcolor="#FFE6CC"]; // Light orange for boundary conditions |
| 65 | +
|
| 66 | + RobinBC [label="robinBC\n(Robin/Neumann/Dirichlet)"]; |
| 67 | + ScalarBC1D [label="ScalarBC1D"]; |
| 68 | + ScalarBC2D [label="ScalarBC2D"]; |
| 69 | + AddScalarBC [label="addScalarBC!\n(Apply Scalar BCs)"]; |
| 70 | + } |
| 71 | +
|
| 72 | + // Grid Variants |
| 73 | + subgraph cluster_grids { |
| 74 | + label="Grid and Dimension Variants"; |
| 75 | + style=filled; |
| 76 | + color="#F5F5F5"; |
| 77 | + node [fillcolor="#DAE8FC"]; // Light blue for utilities |
| 78 | +
|
| 79 | + OneD [label="1D Operators"]; |
| 80 | + TwoD [label="2D Operators"]; |
| 81 | + Uniform [label="Uniform Grids"]; |
| 82 | + NonUniform [label="Non-uniform Grids"]; |
| 83 | + } |
| 84 | +
|
| 85 | + // Module relationships |
| 86 | + edge [color="#0000AA", penwidth=1.5]; |
| 87 | + MOLE -> {Operators BCs}; |
| 88 | +
|
| 89 | + // API ownership relationships |
| 90 | + edge [color="#0000AA", penwidth=1.5]; |
| 91 | + Operators -> {Interpol Gradient Divergence Laplacian}; |
| 92 | + BCs -> {RobinBC ScalarBC1D ScalarBC2D AddScalarBC}; |
| 93 | +
|
| 94 | + // Usage relationships |
| 95 | + edge [style=dashed, dir=forward, color="#006600", penwidth=1.0]; |
| 96 | + Gradient -> Laplacian; |
| 97 | + Divergence -> Laplacian; |
| 98 | +
|
| 99 | + // Grid and dimension relationships |
| 100 | + edge [style=dotted, dir=forward, color="#990000", penwidth=1.0]; |
| 101 | + OneD -> {Interpol Gradient Divergence Laplacian RobinBC ScalarBC1D AddScalarBC}; |
| 102 | + TwoD -> {Gradient Divergence Laplacian RobinBC ScalarBC2D AddScalarBC}; |
| 103 | + Uniform -> {Interpol Gradient Divergence Laplacian}; |
| 104 | + NonUniform -> {Gradient Divergence}; |
| 105 | +
|
| 106 | + // Boundary condition relationships |
| 107 | + edge [style=dashed, constraint=false, color="#AA6600", penwidth=1.0]; |
| 108 | + RobinBC -> {Gradient Divergence Laplacian}; |
| 109 | + ScalarBC1D -> AddScalarBC; |
| 110 | + ScalarBC2D -> AddScalarBC; |
| 111 | + AddScalarBC -> {Gradient Divergence Laplacian}; |
| 112 | +
|
| 113 | + // Add a legend |
| 114 | + subgraph cluster_legend { |
| 115 | + label="Legend"; |
| 116 | + style=filled; |
| 117 | + color="#F5F5F5"; |
| 118 | + fontsize=10; |
| 119 | +
|
| 120 | + node [shape=none, style=none, label=""]; |
| 121 | + edge [style=none]; |
| 122 | +
|
| 123 | + leg_title [label="Relationship Types:", shape=none, fontsize=9]; |
| 124 | + leg_module [label="Module/API Ownership", shape=none, fontsize=9]; |
| 125 | + leg_usage [label="Operator Usage", shape=none, fontsize=9]; |
| 126 | + leg_grid [label="Grid/Dimension Support", shape=none, fontsize=9]; |
| 127 | + leg_boundary [label="Boundary Modification", shape=none, fontsize=9]; |
| 128 | +
|
| 129 | + leg_title -> leg_module [style=solid, color="#0000AA", penwidth=1.5]; |
| 130 | + leg_title -> leg_usage [style=dashed, color="#006600", penwidth=1.0]; |
| 131 | + leg_title -> leg_grid [style=dotted, color="#990000", penwidth=1.0]; |
| 132 | + leg_title -> leg_boundary [style=dashed, color="#AA6600", penwidth=1.0]; |
| 133 | + } |
| 134 | + } |
| 135 | +
|
| 136 | +.. only:: latex |
| 137 | +
|
| 138 | + The MOLE.jl API consists of several key components: |
| 139 | +
|
| 140 | + Core Package: |
| 141 | + * **MOLE.jl**: Julia implementation of Mimetic Operators Library Enhanced. |
| 142 | +
|
| 143 | + Core Modules: |
| 144 | + * **MOLE.Operators**: Provides mimetic discrete operators. |
| 145 | + * **MOLE.BCs**: Provides boundary-condition utilities and scalar boundary-condition support. |
| 146 | +
|
| 147 | + Core Operators: |
| 148 | + * **interpol**: Interpolation operator for grid transformations. |
| 149 | + * **grad**: Gradient operator with support for one- and two-dimensional grids. |
| 150 | + * **div**: Divergence operator with support for one- and two-dimensional grids. |
| 151 | + * **lap**: Laplacian operator related to gradient and divergence operators. |
| 152 | +
|
| 153 | + Boundary Conditions: |
| 154 | + * **robinBC**: Constructs Robin, Neumann, and Dirichlet boundary-condition contributions. |
| 155 | + * **ScalarBC1D**: Scalar boundary-condition data for one-dimensional problems. |
| 156 | + * **ScalarBC2D**: Scalar boundary-condition data for two-dimensional problems. |
| 157 | + * **addScalarBC!**: Applies scalar boundary conditions to operators or systems. |
| 158 | +
|
| 159 | + Grid and Dimension Variants: |
| 160 | + * **1D Operators**: One-dimensional versions of interpolation, gradient, divergence, Laplacian, and boundary-condition routines. |
| 161 | + * **2D Operators**: Two-dimensional versions of gradient, divergence, Laplacian, and boundary-condition routines. |
| 162 | + * **Uniform Grids**: Operators defined using regular grid spacing. |
| 163 | + * **Non-uniform Grids**: Operators defined using coordinate ticks or non-uniform grid spacing. |
| 164 | +
|
| 165 | + Key Features: |
| 166 | + * MOLE.jl exposes operators through Julia modules rather than C++ classes. |
| 167 | + * Core operators are grouped under **MOLE.Operators**. |
| 168 | + * Boundary-condition tools are grouped under **MOLE.BCs**. |
| 169 | + * Laplacian functionality is closely related to Gradient and Divergence. |
| 170 | + * Boundary-condition utilities can modify operator behavior or system matrices. |
| 171 | + * Several operators support both uniform and non-uniform grids. |
| 172 | +``` |
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